SCHEMBL8602578

SCHEMBL8602578

N#Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 7/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ CDK5 Q00535 2/20 0.38
▸ CDK5R1 Q15078 2/20 0.38
▸ CASK O14936 1/20 0.38

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
SCHEMBL8571701 0.84 TAS1R3 (0.42) MEN1KMT2AKDM4EHTTALDH1A1
SCHEMBL8668515 0.83 S1PR2 (0.38) RAB9AMEN1KMT2ATSHRHTT
SCHEMBL8599596 0.80 LMNA (0.40) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL8599822 0.78 ALDH1A1 (0.37) MEN1KMT2AKDM4ENPC1HTT
SCHEMBL8600749 0.71 MEN1 (0.40) RAB9AMEN1KMT2ATSHRKDM4E
SCHEMBL9081819 0.70 SMN1; SMN2 (0.44) RAB9AMEN1KMT2ATSHRKDM4E
SCHEMBL8600307 0.70 TP53 (0.44) HTTALDH1A1MMP2
SCHEMBL8599257 0.69 HSD17B10 (0.43) RAB9AMEN1KMT2ATSHRKDM4E
SCHEMBL8598251 0.69 TYK2 (0.39) MEN1KMT2AHTTCYP3A4
SCHEMBL8569083 0.69 MMP2 (0.43) RAB9AMEN1KMT2ATSHRNPC1

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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