SCHEMBL5078869

SCHEMBL5078869

N=C(N)Nc1ccccc1C(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ MAPT P10636 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CTSD P07339 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MYC P01106 1/20 0.42
▸ MAX P61244 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11307087 0.81 KDM4E (0.55) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL4451329 0.81 KMT2A (0.50) ALDH1A1MAPTKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL6888440 0.80 KMT2A (0.49) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL4005710 0.80 MAPT (0.53) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
SCHEMBL4905868 0.79 KMT2A (0.62) ALDH1A1MAPTCYP2C9KCNMA1KMT2A
Hydrochloric Acid SCHEMBL7865524 0.79 MAPT (0.52) ALDH1A1MAPTCYP1A2CYP2C9KMT2A
Bicarbonate SCHEMBL9506388 0.78 KMT2A (0.61) ALDH1A1MAPTCYP2C9KCNMA1KMT2A
Hydrochloric Acid SCHEMBL15527205 0.77 KMT2A (0.60) ALDH1A1MAPTCYP2C9KCNMA1KMT2A
SCHEMBL10782877 0.76 ALDH1A1 (0.59) ALDH1A1MAPTCYP1A2CYP2C9KCNMA1
SCHEMBL10677499 0.76 HPGD (0.51) ALDH1A1MAPTCYP1A2KMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4654298-A Method for detection of peritoneal inflammation or infection ABBOTT LABORATORIES (US) 1987-03-31 — — US claimed
EP-0178501-A1 Method for detection of peritoneal inflammation or infection ABBOTT LABORATORIES (US) 1986-04-23 — — EP claimed
EP-1976861-A2 INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN The Scripps Research Institute (US) 2008-10-08 — — EP disclosed
WO-2007064759-A2 INHIBITING TUMOUR CELL INVASION, METASTASIS AND ANGIOGENESIS THROUGH TARGETTING LEGUMAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2007-06-07 — — WO disclosed
EP-0892849-A4 METHODS FOR USING THE OBESE GENE AND ITS GENE PRODUCT TO STIMULATE HEMATOPOIETIC DEVELOPMENT PROGENITOR INC (US) 2004-08-25 — — EP disclosed
EP-0892849-A1 METHODS FOR USING THE OBESE GENE AND ITS GENE PRODUCT TO STIMULATE HEMATOPOIETIC DEVELOPMENT Progenitor, Inc. (US) 1999-01-27 — — EP disclosed
WO-1997027286-A9 METHODS FOR USING THE OBESE GENE AND ITS GENE PRODUCT TO STIMULATE HEMATOPOIETIC DEVELOPMENT — 1997-11-20 — — WO disclosed
WO-1997027286-A1 METHODS FOR USING THE OBESE GENE AND ITS GENE PRODUCT TO STIMULATE HEMATOPOIETIC DEVELOPMENT PROGENITOR, INC. (US) 1997-07-31 — — WO disclosed
US-5147790-A Tissue plasminogen activator, biosynthesis T-PA TECHNOLOGY TRUST 1992-09-15 — — US disclosed
EP-0113319-B1 CELL LINES AND THEIR USE FOR THE PRODUCTION OF PROTEINS Wilson, Elaine Lynette, Dr. (ZA) 1991-08-28 — — EP disclosed
EP-0178501-B1 METHOD FOR DETECTION OF PERITONEAL INFLAMMATION OR INFECTION ABBOTT LABORATORIES (US) 1989-11-08 — — EP disclosed
EP-0143081-B1 SYNTHESIS OF TISSUE PLASMINOGEN ACTIVATOR(TPA) BY YEAST CIBA-GEIGY AG (CH) 1989-08-23 — — EP disclosed
US-4798796-A Cell lines and their use for the production plasminogen activators BIO-RESPONSE, INC. (US) 1989-01-17 — — US disclosed
US-4717652-A LEUKOCYTE LYSING AGENT AND CHROMOGENIC OR FLUOROGENIC ENZYME SUBSTRATE ABBOTT LABORATORIES (US) 1988-01-05 — — US disclosed
US-4693970-A Immunoassay using complement BECTON, DICKINSON AND COMPANY (US) 1987-09-15 — — US disclosed
US-4654298-A Method for detection of peritoneal inflammation or infection ABBOTT LABORATORIES (US) 1987-03-31 — — US disclosed
EP-0178501-A1 Method for detection of peritoneal inflammation or infection ABBOTT LABORATORIES (US) 1986-04-23 — — EP disclosed
EP-0143081-A2 Synthesis of tissue plasminogen activator(TPA) by yeast CIBA-GEIGY AG (CH) 1985-05-29 — — EP disclosed
EP-0113319-A2 Cell lines and their use for the production of proteins Wilson, Elaine Lynette, Dr. (ZA) 1984-07-11 — — EP disclosed
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