SCHEMBL9520932

SCHEMBL9520932

O=C(NC12CC3CC(CC1C3)C2)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 7/20 0.42
CNR1 P21554 2/20 0.42
EPHX2 P34913 2/20 0.40
FAAH O00519 4/20 0.39
P2RX7 Q99572 2/20 0.38
MEN1 O00255 1/20 0.36

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
SCHEMBL9043610 0.84 CNR2 (0.38) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL9523374 0.79 P2RX7 (0.59) ALDH1A1KMT2AGAATDP1EPHX2
SCHEMBL9019625 0.76 KMT2A (0.36) ALDH1A1KMT2AGAATDP1MAPT
SCHEMBL9522240 0.76 KMT2A (0.54) ALDH1A1KMT2AGAATDP1CNR2
SCHEMBL9044341 0.73 CNR2 (0.42) ALDH1A1KMT2AGAATSHRNPSR1
SCHEMBL9125672 0.72 ALDH1A1 (0.59) ALDH1A1KMT2AGAATDP1KDM4E
SCHEMBL9521787 0.72 P2RX7 (0.43) ALDH1A1KMT2AGAATDP1MAPT
SCHEMBL9044489 0.71 CNR2 (0.52) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL9123758 0.70 ALDH1A1 (0.57) ALDH1A1KMT2AGAATDP1KDM4E
SCHEMBL19474859 0.70 KMT2A (0.69) ALDH1A1KMT2AGAATDP1KDM4E

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
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed