SCHEMBL7744337

SCHEMBL7744337

Cc1cc(C(=O)O)nn1C(C)(C)C.Nc1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.40
NAPRT Q6XQN6 1/20 0.37
ALDH1A1 P00352 3/20 0.36
RPA1 P27694 1/20 0.36
HTR2A P28223 1/20 0.35
PTGER1 P34995 5/20 0.33
RIPK2 O43353 1/20 0.33
LMNA P02545 1/20 0.33
PPP1CA P62136 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
RET P07949 1/20 0.32

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 0.85 NPC1 (0.53) RAB9ANPC1MAPTRPA1HTR2A
SCHEMBL574266 0.80 NPC1 (0.60) RAB9ANPC1MAPTALDH1A1RPA1
SCHEMBL1902091 0.77 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7746867 0.76 NPC1 (0.58) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL7744751 0.75 RAB9A (0.51) RAB9ANPC1MAPTRPA1HTR2A
SCHEMBL3056530 0.72 NPC1 (0.59) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL14351864 0.69 NPC1 (0.55) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL2361385 0.68 LMNA (0.67) PTGER1LMNA
SCHEMBL17321501 0.67 NPC1 (0.52) RAB9ANPC1MAPTALDH1A1HTR2A
SCHEMBL7746860 0.67 NPC1 (0.56) RAB9ANPC1MAPTALDH1A1HTR2A

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