SCHEMBL7575609

SCHEMBL7575609

COc1ccc(C#N)c(C#N)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.53
IMPDH1 P20839 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 1/20 0.45
AR P10275 5/20 0.44
PGR P06401 2/20 0.43
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
SQOR Q9Y6N5 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3432260 0.89 IMPDH2 (0.49) IMPDH2IMPDH1MAOAMAOBKDM4E
SCHEMBL8596052 0.80 IMPDH2 (0.53) IMPDH2IMPDH1MAOAMAOBKDM4E
SCHEMBL29914867 0.80 ALDH1A1 (0.47) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL27909136 0.80 ALDH1A1 (0.47) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL28684149 0.79 AR (0.50) IMPDH2IMPDH1MAOAMAOBAR
SCHEMBL21189086 0.77 HSD17B10 (0.49) KDM4EALDH1A1ADORA2AADORA1MAPT
SCHEMBL29123961 0.76 MAOB (0.57) IMPDH2IMPDH1MAOAMAOBKDM4E
SCHEMBL11163889 0.75 ADORA2A (0.45) MAOAMAOBKDM4EALDH1A1ADORA2A
SCHEMBL15536667 0.75 MAOA (0.47) IMPDH2IMPDH1MAOAMAOBKDM4E
SCHEMBL8975491 0.74 IMPDH2 (0.50) IMPDH2IMPDH1MAOAMAOBKDM4E

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
WO-2002096913-A1 SUBSTITUTED DI(HYDROXY/ALKOXY)SILICON PHTHALOCYANINES AND THEIR USES GENTIAN AS (NO) 2002-12-05 WO disclosed