SCHEMBL7744751

SCHEMBL7744751

Cc1cc(C(=O)O)nn1C(C)(C)C.NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAP4K4 O95819 5/20 0.42
MAPT P10636 2/20 0.41
HTR2A P28223 1/20 0.41
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPP1CA P62136 1/20 0.41
P2RY14 Q15391 1/20 0.41
RPA1 P27694 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.38

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
4-Chloroaniline SCHEMBL7744755 0.87 NPC1 (0.53) RAB9ANPC1MAPTHTR2ASMN1; SMN2
SCHEMBL7746860 0.83 NPC1 (0.56) RAB9ANPC1MAPTHTR2ASMN1; SMN2
SCHEMBL574266 0.82 NPC1 (0.60) RAB9ANPC1MAPTHTR2ARPA1
SCHEMBL14351864 0.77 NPC1 (0.55) RAB9ANPC1MAPTHTR2AL3MBTL1
SCHEMBL7744337 0.75 RAB9A (0.49) RAB9ANPC1MAPTHTR2ASMN1; SMN2
SCHEMBL1898437 0.75 NPC1 (0.78) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7744783 0.71 GRN (0.63) RAB9ANPC1MAPTL3MBTL1
SCHEMBL3056530 0.71 NPC1 (0.59) RAB9ANPC1MAPTHTR2AL3MBTL1
SCHEMBL1718977 0.70 KDM4E (0.71) RAB9AMAPTTP53
SCHEMBL7746867 0.70 NPC1 (0.58) RAB9ANPC1MAPTL3MBTL1

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 4 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 claimed
WO-2001057024-A1 BLOCKADE OF VOLTAGE DEPENDENT SODIUM CHANNELS UNIVERSITY COLLEGE LONDON (GB) 2001-08-09 WO claimed
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