SCHEMBL4584527

SCHEMBL4584527

O=[N+]([O-])c1ccc(N(Br)Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ TLR9 Q9NR96 1/20 0.57
▸ MAPT P10636 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PHLPP2 Q6ZVD8 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ CES1 P23141 1/20 0.46
▸ CA1 P00915 3/20 0.45

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
SCHEMBL310828 0.80 ALDH1A1 (0.83) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL8986915 0.80 ALDH1A1 (0.83) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL22567 0.79 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL27909482 0.79 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHSD17B10TDP1
SCHEMBL218018 0.76 MAPT (0.78) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL12590141 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL4305560 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL21474173 0.76 MAPT (0.60) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL17018433 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL14165160 0.76 MAPT (0.60) ALDH1A1L3MBTL1MEN1CRHBPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080178757-A1 PYROTECHNIC CHARGE DIEHL BGT DEFENCE GMBH & CO., KG (DE) 2008-07-31 — — US disclosed
EP-1876161-A1 Pyrotechnical charge Diehl BGT Defence GmbH & Co.KG (DE) 2008-01-09 — — EP disclosed
EP-1135442-A1 DISPERSE DYE MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-26 — — EP disclosed
EP-0946556-A4 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES LILLY CO ELI (US) 2001-07-04 — — EP disclosed
WO-2000032697-A1 DISPERSE DYE MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 — — WO disclosed
EP-0946556-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-10-06 — — EP disclosed
WO-1998027093-A1 COMBINATORIAL PROCESS FOR PREPARING HYDROFUROQUINOLINE LIBRARIES ELI LILLY AND COMPANY (US) 1998-06-25 — — WO disclosed
US-4764537-A KETIMINE, ALDIMINE, ENAMINE OR CYCLIC SCHIFF BASE, METAL SALT OF CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 — — US disclosed
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