SCHEMBL19994476

SCHEMBL19994476

O=C(Nc1ccccc1)c1ccc2nc[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
HTT P42858 2/20 0.76
NAMPT P43490 1/20 0.74
KMT2A Q03164 4/20 0.71
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
MAPT P10636 2/20 0.70
MEN1 O00255 1/20 0.70
CASP6 P55212 2/20 0.68
CTDSP1 Q9GZU7 2/20 0.68
HDAC6 Q9UBN7 1/20 0.67
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
CTNNB1 P35222 1/20 0.60
WNT3A P56704 1/20 0.60
KHK P50053 1/20 0.60
TDP1 Q9NUW8 2/20 0.60

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
SCHEMBL3147407 0.89 POLB (0.60) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL24124854 0.88 POLB (0.65) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL24124781 0.88 POLB (0.64) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL7399036 0.84 POLB (0.70) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL28126560 0.81 TDP1 (0.65) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL27548486 0.81 NAMPT (0.67) POLBSMN1; SMN2HTTNAMPTRAB9A
SCHEMBL1608633 0.80 HDAC6 (1.00) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL30265442 0.79 HDAC6 (0.74) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL11172 0.79 HDAC6 (0.74) POLBSMN1; SMN2HTTNAMPTKMT2A
SCHEMBL29406130 0.79 RAB9A (1.00) POLBSMN1; SMN2HTTNAMPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234640-A Benzimidazole derivatives as anticancer agents 利昂贝拉尔中心 2019-09-13 CN disclosed
EP-3515904-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS Centre Leon Berard (FR) 2019-07-31 EP disclosed
WO-2018054989-A1 BENZOIMIDAZOLE DERIVATIVES AS ANTICANCER AGENTS CENTRE LEON BERARD (FR) 2018-03-29 WO disclosed