SCHEMBL13190085

SCHEMBL13190085

O=C(NC1CCCC1)c1cc(NO)c(F)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
HPGD P15428 4/20 0.67
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
GAA P10253 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
TSHR P16473 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
SCHEMBL13190242 0.86 HPGD (0.63) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL3455703 0.85 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13190087 0.83 RAB9A (0.58) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13190086 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL15385126 0.82 NPC1 (0.76) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL3090181 0.77 NPC1 (0.69) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13190241 0.74 PYGL (0.43) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL13190084 0.74 POLB (0.41) RAB9ANPC1SMN1; SMN2HPGDGAA
SCHEMBL11688371 0.72 NPC1 (0.67) RAB9ANPC1SMN1; SMN2HPGDCA12
SCHEMBL15385121 0.72 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HPGDCA12

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-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
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