SCHEMBL1670712

SCHEMBL1670712

COc1ccc(-c2cc(C#N)n(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
AR P10275 1/20 0.44
PDE10A Q9Y233 1/20 0.42
MAOA P21397 3/20 0.42
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAOB P27338 2/20 0.40
HPGD P15428 1/20 0.40
PTBP1 P26599 1/20 0.40
ESR2 Q92731 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
SCHEMBL28349632 0.81 PGR (0.47) PGRARKDM4EALDH1A1GAA
SCHEMBL24584642 0.79 ALDH1A1 (0.60) PGRMAOAKDM4EALDH1A1GAA
SCHEMBL12801020 0.74 DYRK1A (0.46) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL3419967 0.70 MAOA (0.56) PGRARMAOAKDM4EALDH1A1
SCHEMBL91929 0.70 MAOA (0.56) PGRARMAOAKDM4EALDH1A1
SCHEMBL25092558 0.70 PGR (0.42) PGRARKDM4EALDH1A1GAA
Nitrogen SCHEMBL28849677 0.69 CA1 (0.69) KDM4ENPC1RAB9ATP53MAPK1
SCHEMBL197522 0.68 CA1 (0.79) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL9151672 0.68 CA1 (0.79) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL6733562 0.68 CA1 (0.79) KDM4EALDH1A1GAANPC1RAB9A

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-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed