SCHEMBL13190087

SCHEMBL13190087

O=C(NC1CCCC1)c1cc(NO)c(NC2CCCC2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA3 P07451 5/20 0.52
CA6 P23280 5/20 0.52
CA7 P43166 5/20 0.52
CA5B Q9Y2D0 5/20 0.52
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA13 Q8N1Q1 4/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5A P35218 3/20 0.52
CA4 P22748 2/20 0.52
HPGD P15428 3/20 0.51
CISD1 Q9NZ45 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42

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
SCHEMBL13190086 0.88 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL15385123 0.83 NPC1 (0.59) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL13190085 0.83 RAB9A (0.74) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL3106315 0.79 NPC1 (0.53) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL12494123 0.77 HPGD (0.57) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL15385121 0.75 NPC1 (0.59) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL3094869 0.74 RAB9A (0.57) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL3455703 0.74 NPC1 (1.00) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL12494909 0.73 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2CA1CA2
SCHEMBL11688371 0.72 NPC1 (0.67) RAB9ANPC1SMN1; SMN2CA1CA2

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