SCHEMBL6175873

SCHEMBL6175873

CC(=O)Oc1ccc(Cl)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ABCB11 O95342 1/20 0.43
NOS2 P35228 2/20 0.43
VCAM1 P19320 1/20 0.42
PLA2G7 Q13093 1/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8799276 0.86 NOS2 (0.43) MAOBMRGPRX4ALDH1A1NOS2VCAM1
SCHEMBL11187262 0.84 PLA2G7 (0.49) MRGPRX4PLA2G7
SCHEMBL3856445 0.83 NOS2 (0.45) MAOBMRGPRX4ALDH1A1NOS2VCAM1
SCHEMBL11176242 0.82 MRGPRX4 (0.47) MRGPRX4ALDH1A1PLA2G7KDM4ETSHR
SCHEMBL4595417 0.81 MAOB (0.48) MAOBALDH1A1KDM4ERAB9AGAA
SCHEMBL4324072 0.80 ALDH1A1 (0.62) MAOBALDH1A1KDM4ERAB9AGAA
SCHEMBL1667669 0.80 CFD (0.47) MAOBALDH1A1KDM4ERAB9AGAA
SCHEMBL16421474 0.80 ALDH1A1 (0.50) MAOBALDH1A1KDM4ERAB9AGAA
SCHEMBL11338058 0.78 KDM4E (0.58) ALDH1A1ABCB11KDM4ERAB9AGAA
SCHEMBL13946931 0.78 MAOB (0.45) MAOBALDH1A1KDM4ERAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed
EP-0834510-B1 Flavone derivative and medicine comprising the same KOWA CO (JP) 2005-02-23 EP disclosed
EP-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 EP disclosed
US-6136848-A ANTIALLERGENS; ASTHMA THERAPY KOWA CO., LTD. (JP) 2000-10-24 US disclosed
US-6046212-A ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2000-04-04 US disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 EP disclosed
EP-0834510-A2 Flavone derivative and medicine comprising the same KOWA CO. LTD. (JP) 1998-04-08 EP disclosed