SCHEMBL7744959

SCHEMBL7744959

Cc1ccc(Cn2nc(C)cc2C(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 1.00
MAPT P10636 3/20 1.00
KMT2A Q03164 2/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
FLT1 P17948 1/20 0.65
KDR P35968 1/20 0.65
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
P2RY14 Q15391 1/20 0.52
CNR1 P21554 2/20 0.51
CNR2 P34972 1/20 0.51
DHODH Q02127 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL1900773 0.95 NPSR1 (0.90) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL146791 0.88 NPSR1 (0.78) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL144387 0.86 NPSR1 (0.76) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL1897882 0.81 RAB9A (1.00) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL147214 0.80 MAPT (0.67) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL147011 0.79 NPSR1 (0.65) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL6258641 0.79 MAPT (0.64) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL23846540 0.79 NPSR1 (0.64) NPSR1MAPTKMT2ANPC1RAB9A
SCHEMBL7744394 0.79 NPSR1 (0.64) NPSR1MAPTKMT2ANPC1RAB9A
4-Chloroaniline SCHEMBL7744962 0.78 MAPT (0.64) NPSR1MAPTKMT2ANPC1RAB9A

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
EP-1252156-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS University College London (GB) 2002-10-30 EP disclosed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO disclosed