SCHEMBL9544527

SCHEMBL9544527

Cc1cc(N(C(N)=O)c2ccc3c(ccn3C)c2)sn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR2B P41595 2/20 0.49
RECQL P46063 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL9544156 0.77 HTR2C (0.49) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9545377 0.76 MEN1 (0.41) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9370953 0.75 CYP2A6 (0.38) NPC1RAB9ASMN1; SMN2MEN1MAPT
SCHEMBL9376868 0.74 HTR2B (0.40) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7378778 0.73 KDM1A (0.41) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9545320 0.73 PIK3CD (0.39) HTR2CNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9542979 0.73 GRK5 (0.47) HTR2CNPC1SMN1; SMN2MEN1TP53
SCHEMBL27469254 0.73 HTR2B (0.40) HTR2CMEN1TP53CYP1A2CYP3A4
SCHEMBL9542983 0.73 MAPT (0.44) HTR2CMEN1TP53CYP1A2CYP3A4
SCHEMBL18962969 0.73 MAPT (0.52) HTR2CNPC1RAB9ASMN1; SMN2MEN1

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