SCHEMBL9544156

SCHEMBL9544156

Cc1cc(N(C(N)=O)c2ccc3c(ccn3C)c2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
PRKCI P41743 1/20 0.38
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 2/20 0.37
HTR2B P41595 2/20 0.37
RECQL P46063 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL9544527 0.77 HTR2C (0.49) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL9545377 0.76 MEN1 (0.41) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL9370533 0.75 CYP2A6 (0.38) MEN1MAPTKMT2ANPC1RAB9A
SCHEMBL9376868 0.74 HTR2B (0.40) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL7378778 0.73 KDM1A (0.41) HTR2CMEN1TP53CYP1A2CYP3A4
SCHEMBL9545320 0.73 PIK3CD (0.39) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL9542983 0.73 MAPT (0.44) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL27469254 0.73 HTR2B (0.40) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL9542979 0.73 GRK5 (0.47) HTR2CPRKCIMEN1TP53CYP1A2
SCHEMBL18962969 0.73 MAPT (0.52) HTR2CPRKCIMEN1TP53CYP1A2

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