SCHEMBL8597965

SCHEMBL8597965

CCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39

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
SCHEMBL8597593 0.88 MMP2 (0.42) CA12CA1CA2CA3CA4
SCHEMBL8599994 0.81 MEN1 (0.40) HTTPOLBSMN1; SMN2MMP2MEN1
SCHEMBL8596927 0.81 MEN1 (0.43) HTTPOLBSMN1; SMN2MEN1KMT2A
SCHEMBL8597130 0.77 MEN1 (0.38) HTTALDH1A1POLBSMN1; SMN2MMP2
SCHEMBL8569083 0.77 MMP2 (0.43) HTTPOLBSMN1; SMN2MMP2MEN1
SCHEMBL8601626 0.76 MAPT (0.47) HTTALDH1A1SMN1; SMN2MMP2MEN1
SCHEMBL8601890 0.76 TNF (0.46) HTTSMN1; SMN2MMP2MEN1KMT2A
SCHEMBL8603765 0.76 TYK2 (0.46) HTTSMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL8651233 0.74 KMT2A (0.39) HTTPOLBSMN1; SMN2MMP2MEN1
SCHEMBL8597093 0.74 MMP2 (0.42) HTTPOLBSMN1; SMN2MMP2MEN1

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-0863881-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-16 — — EP disclosed
WO-1997010219-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE IN THE PREVENTION AND/OR THE TREATMENT OF BONE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-20 — — WO disclosed
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