4-Chloroaniline

4-Chloroaniline

SCHEMBL7744755

Cc1cc(C(=O)O)nn1C(C)(C)C.Nc1ccc(Cl)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PPP1CA P62136 2/20 0.42
RPA1 P27694 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PTGER1 P34995 3/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
HTR2A P28223 1/20 0.38
MYC P01106 2/20 0.38
NR4A1 P22736 1/20 0.38
P2RY14 Q15391 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 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
SCHEMBL7744751 0.87 RAB9A (0.51) NPC1RAB9AMAPTSMN1; SMN2PPP1CA
SCHEMBL7744337 0.85 RAB9A (0.49) NPC1RAB9AMAPTSMN1; SMN2PPP1CA
SCHEMBL574266 0.84 NPC1 (0.60) NPC1RAB9AMAPTRPA1L3MBTL1
SCHEMBL7746867 0.82 NPC1 (0.58) NPC1RAB9AMAPTL3MBTL1MYC
SCHEMBL1898437 0.77 NPC1 (0.78) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL14351864 0.73 NPC1 (0.55) NPC1RAB9AMAPTL3MBTL1HTR2A
SCHEMBL3056530 0.73 NPC1 (0.59) NPC1RAB9AMAPTL3MBTL1HTR2A
SCHEMBL17324806 0.71 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL2865749 0.71 SMN1; SMN2 (0.66) SMN1; SMN2PPP1CARPA1L3MBTL1MEN1
SCHEMBL7746860 0.70 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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