SCHEMBL13190086

SCHEMBL13190086

CNc1cc(Cl)c(C(=O)NC2CCCC2)cc1NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 3/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL13190087 0.88 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL15385121 0.85 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL3094869 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13190085 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL1728088 0.80 NPC1 (0.52) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL15385123 0.77 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL3455703 0.73 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL15385126 0.72 NPC1 (0.76) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL11688371 0.71 NPC1 (0.67) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13189719 0.71 HPGD (0.42) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 WO disclosed