SCHEMBL7510328

SCHEMBL7510328

COc1ccc(-c2cc(-c3ccc(SC)cc3)c(C#N)c(N)n2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 2/20 0.71
GLA P06280 2/20 0.71
GAA P10253 1/20 0.71
GFER P55789 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
ADORA2A P29274 7/20 0.69
ADORA1 P30542 7/20 0.69
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 3/20 0.52
USP2 O75604 2/20 0.52
HSD17B10 Q99714 2/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL7504091 0.90 KDM4E (0.60) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7553240 0.87 KDM4E (0.76) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7509621 0.84 KDM4E (0.71) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7505116 0.82 KDM4E (0.84) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL23841107 0.81 KDM4E (0.82) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7504439 0.80 KDM4E (0.65) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL31139643 0.78 ADORA2A (0.88) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL31139658 0.78 ADORA1 (0.91) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7501358 0.76 MEN1 (0.70) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL6250197 0.76 MEN1 (0.87) KDM4EMEN1KMT2AALDH1A1MAPT

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-1222170-A1 NOVEL NICOTINONITRILE COMPOUNDS AstraZeneca AB (SE) 2002-07-17 EP claimed
WO-2001025207-A1 NOVEL NICOTINONITRILE COMPOUNDS ASTRAZENECA AB (SE) 2001-04-12 WO claimed