SCHEMBL4771997

SCHEMBL4771997

COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 1.00
L3MBTL1 Q9Y468 3/20 0.75
ATM Q13315 1/20 0.75
TP53 P04637 1/20 0.72
ALDH1A1 P00352 5/20 0.70
HPGD P15428 3/20 0.70
KMT2A Q03164 7/20 0.67
NPSR1 Q6W5P4 3/20 0.67
HSD17B10 Q99714 3/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
MEN1 O00255 4/20 0.65
MAPT P10636 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
USP2 O75604 1/20 0.65
HTT P42858 1/20 0.65
TAAR1 Q96RJ0 1/20 0.65
BRAF P15056 1/20 0.62
MAPK14 Q16539 1/20 0.62
AURKA O14965 2/20 0.60

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
SCHEMBL6681990 0.86 L3MBTL1 (1.00) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL28347241 0.84 LMNA (0.73) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL6677998 0.83 LMNA (0.71) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL22095074 0.83 MAPT (0.80) LMNATP53ALDH1A1HPGDKMT2A
SCHEMBL6682820 0.82 HPGD (1.00) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL4501557 0.82 ALDH1A1 (0.82) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL6680213 0.82 MEN1 (0.69) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL22095109 0.81 LMNA (0.67) LMNATP53ALDH1A1HPGDKMT2A
SCHEMBL28548195 0.80 KMT2A (0.74) LMNAL3MBTL1ATMTP53ALDH1A1
SCHEMBL28771391 0.80 ALDH1A1 (0.78) LMNAL3MBTL1ATMTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed