SCHEMBL9507120

SCHEMBL9507120

COc1ccc(C(N)c2ccccc2OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADRA2A P08913 2/20 0.44
ADRA1A P35348 2/20 0.44
CA4 P22748 2/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL20241687 0.86 IDO1 (0.59) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL9680973 0.86 IDO1 (0.59) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL17842434 0.84 IDO1 (0.45) IDO1TDO2ALDH1A1SMN1; SMN2CYP2D6
SCHEMBL4010346 0.84 CA12 (0.48) MEN1KMT2AALDH1A1CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL32664910 0.84 IDO1 (0.49) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL28264344 0.82 KMT2A (0.49) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL414370 0.81 MEN1 (0.48) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL2153572 0.80 ACP3 (0.56) ALDH1A1CYP2D6CYP1A2CYP2C19MAPK1
SCHEMBL19282953 0.80 ACP3 (0.56) ALDH1A1CYP2D6CYP1A2CYP2C19MAPK1
SCHEMBL3227491 0.80 CYP2D6 (0.50) MEN1KMT2AALDH1A1CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331073-B1 BENZHYDRYLAMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1993-07-28 EP disclosed
US-5051526-A Reagents for solid phase synthesis of polypeptides CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1991-09-24 US disclosed
US-4965405-A INTERMEDIATE FOR POLYPEPTIDE SYNTHESIS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-23 US disclosed
EP-0331073-A2 Benzhydrylamine derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-09-06 EP disclosed