SCHEMBL8668515

SCHEMBL8668515

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ITGB1 P05556 2/20 0.35
▸ ITGAV P06756 2/20 0.35
▸ ITGA5 P08648 2/20 0.35
▸ ITGA4 P13612 2/20 0.35
▸ ITGB8 P26012 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK10 P53779 1/20 0.35

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
SCHEMBL8599596 0.90 LMNA (0.40) S1PR2MMP2MEN1KMT2ASMN1; SMN2
SCHEMBL8571701 0.86 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MMP2MEN1
SCHEMBL8602955 0.85 MMP2 (0.43) S1PR2MMP2MEN1KMT2ARAB9A
SCHEMBL8597757 0.83 L3MBTL1 (0.46) S1PR2MMP2MEN1KMT2ARAB9A
SCHEMBL8602578 0.83 RAB9A (0.43) MMP2MEN1KMT2ARAB9AHTT
SCHEMBL8599822 0.80 ALDH1A1 (0.37) TAS1R3TAS1R1TAS1R2MMP2MEN1
SCHEMBL8603067 0.80 L3MBTL1 (0.45) S1PR2MMP2MEN1KMT2ARAB9A
SCHEMBL8600307 0.76 TP53 (0.44) MMP2SMN1; SMN2HTTL3MBTL1TYK2
SCHEMBL8600749 0.73 MEN1 (0.40) TAS1R3TAS1R1TAS1R2MMP2MEN1
SCHEMBL8597525 0.72 KMT2A (0.41) MMP2MEN1KMT2ARAB9ASMN1; 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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