SCHEMBL7987146

SCHEMBL7987146

Oc1ccc2c(c1O)/C(=C/c1ccncc1)c1ccccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.62
CYP11B2 P19099 6/20 0.62
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCL2 P10415 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAOA P21397 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
DAPK1 P53355 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL7987151 1.00 CYP19A1 (0.62) CYP19A1CYP11B2CYP3A4MAPK1KDM4E
SCHEMBL7987238 0.87 MEN1 (0.43) CYP19A1CYP11B2CYP3A4MAPK1KDM4E
SCHEMBL7987242 0.87 MEN1 (0.43) CYP19A1CYP11B2CYP3A4MAPK1KDM4E
SCHEMBL8276094 0.78 CYP19A1 (1.00) CYP19A1CYP11B2CYP3A4MAPK1CYP11B1
Hydrochloric Acid SCHEMBL4222646 0.76 CYP19A1 (0.96) CYP19A1CYP11B2CYP3A4MAPK1CYP11B1
SCHEMBL7988321 0.73 MAPT (0.44) CYP11B2CYP3A4MAPK1KDM4EMEN1
SCHEMBL7988320 0.73 MAPT (0.44) CYP11B2CYP3A4MAPK1KDM4EMEN1
SCHEMBL476897 0.70 MEN1 (0.57) CYP3A4MAPK1KDM4EMEN1ALDH1A1
SCHEMBL31185666 0.70 MEN1 (0.57) CYP3A4MAPK1KDM4EMEN1ALDH1A1
SCHEMBL7983924 0.69 LCK (0.41) CYP3A4MAPK1KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed