SCHEMBL8597593

SCHEMBL8597593

Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA6 P23280 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA13 Q8N1Q1 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ CA5B Q9Y2D0 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ HTT P42858 4/20 0.40
▸ ALPL P05186 2/20 0.40
▸ ALPG P10696 2/20 0.40
▸ ALPP P05187 1/20 0.40
▸ PLAA Q9Y263 1/20 0.40

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
SCHEMBL8597965 0.88 CA12 (0.43) MMP2CA12CA1CA2CA3
SCHEMBL8569083 0.87 MMP2 (0.43) MMP2MAPTSMN1; SMN2HTTSLC16A3
SCHEMBL8597093 0.86 MMP2 (0.42) MMP2MAPTSMN1; SMN2HTTSLC16A3
SCHEMBL8601890 0.86 TNF (0.46) MMP2SMN1; SMN2HTTSLC16A3RAB9A
SCHEMBL8601626 0.85 MAPT (0.47) MMP2MAPTSMN1; SMN2HTTALDH1A1
SCHEMBL8602533 0.84 MMP2 (0.41) MMP2MAPTSMN1; SMN2HTTRAB9A
Trifluoroacetic Acid SCHEMBL8598750 0.84 CDK4 (0.42) MMP2SMN1; SMN2HTTALDH1A1MEN1
SCHEMBL8597525 0.83 KMT2A (0.41) MMP2MAPTSMN1; SMN2HTTNPC1
SCHEMBL8599397 0.82 MEN1 (0.41) MMP2MAPTSMN1; SMN2HTTSLC16A3
Hydrochloric Acid SCHEMBL8603024 0.82 POLB (0.41) MMP2MAPTSMN1; SMN2HTTNPC1

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
Send feedback