SCHEMBL3419481

SCHEMBL3419481

O=[N+]([O-])c1ccccc1CNO

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
CA12 O43570 1/20 0.55
HPGD P15428 1/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH3A1 P30838 1/20 0.53
KDM4E B2RXH2 2/20 0.52
KDM1A O60341 1/20 0.51
PTPN1 P18031 1/20 0.51
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50

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
Hydrochloric Acid SCHEMBL21219505 0.98 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL2060922 0.81 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL1827938 0.81 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL27848284 0.81 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL27746684 0.81 ALDH1A1 (0.63) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL1252918 0.80 KMT2A (0.64) ALDH1A1TSHRL3MBTL1CA12KMT2A
Hydrochloric Acid SCHEMBL27326903 0.79 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1CA12HPGD
SCHEMBL3202573 0.79 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1HPGDKMT2A
SCHEMBL10341802 0.79 NPC1 (0.58) ALDH1A1TSHRL3MBTL1CA12KMT2A
SCHEMBL20511418 0.79 MEN1 (0.62) ALDH1A1TSHRL3MBTL1CA12KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010081204-A2 ACTIVATORS OF THE AUTOPHAGIC PATHWAY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-07-22 WO disclosed
US-20050282749-A1 Use of GLP-2 and related compounds for the treatment, prevention, diagnosis, and prognosis of bone-related disorders and calcium homeostasis related syndromes SANOS BIOSCIENCE A/S 2005-12-22 US disclosed
EP-1414486-A2 USE OF GLP-2 IN COMBINATION WITH ANOTHER THERAPEUTIC AGENT IN BONE-RELATED AND NUTRITION-RELATED DISORDERS Osteometer Biotech AS (DK) 2004-05-06 EP disclosed
WO-2002024214-A2 USE OF GLP -2 IN COMBINATION WITH ANOTHER THERAPEUTIC AGENT IN BONE-RELATED AND NUTRITION-RELATED DISORDERS OSTEOMETER BIOTECH A/S (DK) 2002-03-28 WO disclosed
US-5112741-A Reaction with an amine ENZYMATICS, INC. (US) 1992-05-12 US disclosed
US-4590211-A USING HYDROXYUREA PRODURG FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1986-05-20 US disclosed
US-4302457-A ACTIVATION OF PRO-DRUGS BY ULTRAVIOLET RADIATION IN TREATMENT OF SKIN DISORDERS THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4302456-A UV RADIATION ACTIVATION OF PRO-DRUG, FOR SKIN DISEASE THE UPJOHN COMPANY (US) 1981-11-24 US disclosed
US-4235887-A ADMINISTERING PRO-DRUG STEROID FOR SKIN DISORDERS THE UPJOHN COMPANY (US) 1980-11-25 US disclosed