SCHEMBL8564792

SCHEMBL8564792

COc1ccc2[nH][c]nc2c1-c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 2/20 0.42
MAPT P10636 2/20 0.42
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
KDR P35968 1/20 0.40
ERN1 O75460 2/20 0.39
PDGFRB P09619 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL8564825 0.80 IKBKB (0.37) IKBKBNISCHMAPK10
SCHEMBL8566667 0.77 MAPT (0.45) MAPTPDGFRBKDM4EALDH1A1USP2
SCHEMBL8563998 0.71 IKBKB (0.36) IKBKBSMN1; SMN2NISCHMAPK10
SCHEMBL8566061 0.70 HTR2B (0.49) NISCHMAPK10ALOX5
SCHEMBL10833235 0.70 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL6883568 0.70 CCNB2 (0.34) MAPTKDM4EMEN1KMT2ANQO2
SCHEMBL557929 0.68 KEAP1 (0.44) MAPTALDH1A1HPGDHSD17B10NPC1
SCHEMBL14019081 0.67 MAPT (0.68) RAC1MAPTERN1KDM4EALDH1A1
SCHEMBL8566928 0.66 NQO2 (0.30) NQO2
SCHEMBL8563054 0.64 MAPK8 (0.34) CDK4CCNA2CCND1CDK2CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821675-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-02-04 EP disclosed
WO-1996033176-A1 NOVEL HYDROXAMIC ACID AND AMINO-CARBOXYLATE COMPOUNDS AS METALLOPROTEASE AND TNF INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-10-24 WO disclosed