SCHEMBL9544511

SCHEMBL9544511

Cn1ccc2cc(N(C(N)=O)c3cccc4cnccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTR2B P41595 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 2/20 0.41
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
KDM4C Q9H3R0 1/20 0.39
NTSR1 P30989 1/20 0.38
PRKCI P41743 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 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
SCHEMBL9375448 0.87 CYP11B1 (0.43) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL9542983 0.82 MAPT (0.44) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL9544220 0.81 HTR2B (0.47) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL9545059 0.81 GRM4 (0.39) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL18962969 0.80 MAPT (0.52) MAPTHTR2BKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27386294 0.79 HTR2C (0.53) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL27407225 0.78 HTR2B (0.39) MAPTHTR2BKDM4ECYP1A2CYP3A4
SCHEMBL9375722 0.77 KDR (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9543681 0.77 MAPT (0.46) MAPTHTR2BKDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27407226 0.77 HTR2C (0.40) MAPTHTR2BKDM4ECYP1A2CYP3A4

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
WO-1993018028-A1 INDOLE DERIVATIVES AS 5HT1C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed