SCHEMBL8599264

SCHEMBL8599264

C=CCn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
UBA2 Q9UBT2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPK10 P53779 6/20 0.40
MAPK8 P45983 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TYK2 P29597 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 2/20 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
SCHEMBL8597312 0.85 TP53 (0.43) MEN1KMT2ASMN1; SMN2TYK2HTT
SCHEMBL8595623 0.85 TYK2 (0.41) MEN1KMT2ASMN1; SMN2TYK2HTT
SCHEMBL8599983 0.84 TYK2 (0.40) MEN1KMT2ASMN1; SMN2NPC1TYK2
SCHEMBL8596165 0.84 TP53 (0.45) MEN1KMT2ASMN1; SMN2TYK2HTT
SCHEMBL8598065 0.84 TYK2 (0.40) MEN1KMT2ASMN1; SMN2NPC1TYK2
SCHEMBL8596379 0.84 TYK2 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8597372 0.84 PTGES (0.45) MEN1KMT2ATYK2PTGESTP53
SCHEMBL8598251 0.84 TYK2 (0.39) MEN1KMT2ASMN1; SMN2TYK2HTT
SCHEMBL8596861 0.84 TP53 (0.40) MEN1KMT2ASMN1; SMN2NPC1TYK2
Hydrochloric Acid SCHEMBL8602822 0.83 MEN1 (0.45) MEN1KMT2AKDM4EMAPTALDH1A1

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