SCHEMBL8599257

SCHEMBL8599257

Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ PTGES O14684 2/20 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
SCHEMBL8600749 0.89 MEN1 (0.40) ALDH1A1TSHRKMT2AMEN1HTT
SCHEMBL8597525 0.87 KMT2A (0.41) HSD17B10TSHRMAPK14KMT2AMEN1
Hydrochloric Acid SCHEMBL8603024 0.86 POLB (0.41) HSD17B10TSHRMAPK14KMT2AMEN1
SCHEMBL8599397 0.86 MEN1 (0.41) TSHRKMT2AMEN1HTTSMN1; SMN2
SCHEMBL8602120 0.85 PTGES (0.44) HSD17B10ALDH1A1KMT2AMEN1HTT
SCHEMBL8597119 0.85 MEN1 (0.43) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL8601626 0.85 MAPT (0.47) ALDH1A1TSHRHPGDKMT2AMEN1
SCHEMBL8569083 0.83 MMP2 (0.43) TSHRKMT2AMEN1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8596989 0.82 MEN1 (0.42) TSHRKMT2AMEN1HTTSMN1; SMN2
SCHEMBL8597093 0.82 MMP2 (0.42) TSHRKMT2AMEN1HTTSMN1; SMN2

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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