SCHEMBL8599983

SCHEMBL8599983

O=C(Nc1cccc2c1nc(C(F)(F)F)n2CCBr)c1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGES O14684 7/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.36
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
CYP3A4 P08684 1/20 0.36
JAK1 P23458 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
KDR P35968 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC16A3 O15427 1/20 0.35
HSD17B13 Q7Z5P4 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
SCHEMBL8595623 0.91 TYK2 (0.41) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8598065 0.90 TYK2 (0.40) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8596911 0.87 TP53 (0.39) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8597312 0.86 TP53 (0.43) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8601334 0.86 HTT (0.46) MEN1KMT2AHTTSMN1; SMN2PTGES
SCHEMBL8596165 0.85 TP53 (0.45) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8598511 0.85 PTGES (0.41) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8599264 0.84 MEN1 (0.41) TYK2MEN1KMT2ACRHBPHTT
SCHEMBL8597372 0.84 PTGES (0.45) TYK2MEN1KMT2APTGESTP53
SCHEMBL8598251 0.84 TYK2 (0.39) TYK2MEN1KMT2ACRHBPHTT

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