SCHEMBL4365264

SCHEMBL4365264

CC(=O)Nc1cccc(C2(C(C(=O)N(c3ccccc3)C3CCCCC3)C3CCCCC3)Nc3ccccc3N2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.38
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
DHODH Q02127 1/20 0.35
AGTR2 P50052 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNK3 O14649 1/20 0.33

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
SCHEMBL4040716 0.82 PKM (0.44) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL4359021 0.81 POLB (0.39) RAB9AKDM4EMEN1NPC1MITF
SCHEMBL4357387 0.77 ALDH1A1 (0.40) RAB9AKDM4EMEN1NPC1MITF
SCHEMBL4372988 0.76 NPC1 (0.37) RAB9AKDM4EMEN1NPC1MITF
SCHEMBL4369197 0.75 NPC1 (0.37) RAB9AKDM4EMEN1NPC1MITF
SCHEMBL4034657 0.72 SMN1; SMN2 (0.50) RAB9AKDM4EMEN1NPC1KMT2A
SCHEMBL4034540 0.71 DHODH (0.46) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4365190 0.71 ALDH1A1 (0.37) RAB9AKDM4EMEN1NPC1MITF
SCHEMBL4037171 0.68 NPC1 (0.47) RAB9AMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL4042940 0.68 TSHR (0.45) RAB9AKDM4EMEN1NPC1ALDH1A1

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-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed