SCHEMBL8917003

SCHEMBL8917003

Cc1ccc(O)c(C(=O)C2CC[N]CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.50
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
CYP2D6 P10635 1/20 0.40
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
TRPA1 O75762 1/20 0.37
P2RX1 P51575 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37

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
SCHEMBL11069168 0.89 CSNK2A1 (0.58) CSNK2A1KMT2AKDM4ELMNAMEN1
SCHEMBL8918173 0.81 CA1 (0.50) KMT2AKDM4ELMNAMEN1RAB9A
SCHEMBL4670951 0.75 KMT2A (0.62) KMT2ALMNAMEN1RAB9AALDH1A1
SCHEMBL4671330 0.73 ALDH1A1 (0.55) KMT2AKDM4EMEN1RAB9AALDH1A1
SCHEMBL4671427 0.72 HSD11B1 (0.45) KMT2AMEN1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4115726 0.71 CA12 (0.55) GAAALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL19795014 0.70 MEN1 (0.44) CSNK2A1KMT2ALMNAMEN1RAB9A
SCHEMBL1341532 0.70 MAPT (0.49) CSNK2A1KMT2AMEN1RAB9AGAA
SCHEMBL11500852 0.69 CSNK2A1 (0.72) CSNK2A1KMT2AKDM4ELMNAMEN1
SCHEMBL12442147 0.69 KMT2A (0.50) KMT2AKDM4EMEN1RAB9AMAPT

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-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed