SCHEMBL8600749

SCHEMBL8600749

Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40
▸ TAS1R2 Q8TE23 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ PTGES O14684 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LCK P06239 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL8599257 0.89 HSD17B10 (0.43) MEN1KMT2AHTTSMN1; SMN2TAS1R3
SCHEMBL8601626 0.86 MAPT (0.47) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8569083 0.84 MMP2 (0.43) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8597525 0.84 KMT2A (0.41) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8598251 0.84 TYK2 (0.39) MEN1KMT2AHTTSMN1; SMN2TAS1R3
SCHEMBL8597093 0.83 MMP2 (0.42) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8601890 0.83 TNF (0.46) MEN1KMT2AHTTSMN1; SMN2CRHBP
Hydrochloric Acid SCHEMBL8603024 0.83 POLB (0.41) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8599397 0.83 MEN1 (0.41) MEN1KMT2AHTTSMN1; SMN2CRHBP
SCHEMBL8603647 0.83 MEN1 (0.40) MEN1KMT2AHTTSMN1; SMN2CRHBP

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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