SCHEMBL9119587

SCHEMBL9119587

COc1ccc(C(CCCc2c[nH]cn2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.49
CYP17A1 P05093 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MITF O75030 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 1/20 0.35
HRH2 P25021 1/20 0.34

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
SCHEMBL9119464 0.96 CYP19A1 (0.46) CYP19A1ALDH1A1CNR1CNR2MITF
SCHEMBL9641135 0.93 CYP19A1 (0.56) CYP19A1CYP17A1ALDH1A1CNR1CNR2
SCHEMBL9120327 0.84 CYP19A1 (0.54) CYP19A1CNR1CNR2
SCHEMBL4379246 0.83 CYP19A1 (0.36) CYP19A1ALDH1A1LMNAHTTHRH3
SCHEMBL9090383 0.83 CYP19A1 (0.63) CYP19A1MAPT
SCHEMBL9119383 0.82 CYP19A1 (0.43) CYP19A1
SCHEMBL9120192 0.81 CYP19A1 (0.54) CYP19A1CNR1CNR2
SCHEMBL9119601 0.81 CYP19A1 (0.54) CYP19A1MAPK1
SCHEMBL7987297 0.81 HRH3 (0.54) ALDH1A1LMNAMAPK1NPSR1HRH3
SCHEMBL9120034 0.81 CYP19A1 (0.50) CYP19A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390558-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1994-09-07 EP claimed
EP-0390558-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1990-10-03 EP claimed
US-5439928-A Enzyme inhibitors as antitumor agents for breast cancer ORION-YHTYMA OY (FI) 1995-08-08 US disclosed
EP-0390558-B1 Aromatase inhibiting 4(5)-imidazoles ORION YHTYMAE OY (FI) 1994-09-07 EP disclosed
EP-0390558-A1 Aromatase inhibiting 4(5)-imidazoles ORION-YHTYMÀ„ OY (FI) 1990-10-03 EP disclosed