SCHEMBL8601334

SCHEMBL8601334

O=C(Nc1cccc2c1nc(C(F)(F)F)n2CCN1CCCC1)c1c(Cl)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGES O14684 2/20 0.43
OPRK1 P41145 10/20 0.42
OPRM1 P35372 5/20 0.42
OPRD1 P41143 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8597477 0.93 ALDH1A1 (0.46) HTTL3MBTL1PTGESSMN1; SMN2LMNA
SCHEMBL8596881 0.87 POLB (0.43) HTTL3MBTL1PTGESSMN1; SMN2TSHR
SCHEMBL8595623 0.87 TYK2 (0.41) HTTPTGESSMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL8601764 0.86 POLB (0.43) HTTL3MBTL1PTGESSMN1; SMN2TSHR
SCHEMBL8599983 0.86 TYK2 (0.40) HTTPTGESSMN1; SMN2KMT2AMEN1
SCHEMBL8598065 0.86 TYK2 (0.40) HTTPTGESSMN1; SMN2KMT2AMEN1
SCHEMBL8596911 0.83 TP53 (0.39) HTTL3MBTL1PTGESSMN1; SMN2KMT2A
SCHEMBL8600023 0.83 ALDH1A1 (0.41) HTTL3MBTL1PTGESSMN1; SMN2TSHR
SCHEMBL8596612 0.83 MEN1 (0.41) HTTPTGESSMN1; SMN2LMNATSHR
SCHEMBL8597312 0.83 TP53 (0.43) HTTL3MBTL1PTGESSMN1; SMN2KMT2A

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