SCHEMBL7575602

SCHEMBL7575602

COc1ccccc1-c1cccc(C#N)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.49
PGR P06401 2/20 0.48
AR P10275 2/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
BLM P54132 1/20 0.45
SQOR Q9Y6N5 1/20 0.45

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
SCHEMBL3432262 0.89 KCNN4 (0.46) KCNN4PGRARGAAPOLB
SCHEMBL1133173 0.85 KCNN4 (0.54) KCNN4PGRARGAAPOLB
SCHEMBL8718691 0.83 MAOA (0.53) ARGAAPOLBKDM4EALDH1A1
SCHEMBL11132592 0.81 ESR2 (0.43) GAAKDM4EALDH1A1MAOAMAOB
SCHEMBL28408790 0.79 POLB (0.51) ARGAAPOLBKDM4EALDH1A1
SCHEMBL11876478 0.79 ESR2 (0.48) GAAKDM4EALDH1A1TSHRMEN1
SCHEMBL8802694 0.77 KDM4E (0.48) KCNN4PGRARGAAKDM4E
SCHEMBL104280 0.77 POLB (0.66) PGRARGAAPOLBKDM4E
SCHEMBL29518610 0.77 POLB (0.66) PGRARGAAPOLBKDM4E
SCHEMBL18406710 0.77 TSHR (0.57) ARGAATSHRMEN1KMT2A

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