SCHEMBL8596379

SCHEMBL8596379

C=Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.41
PTGES O14684 5/20 0.39
CDK14 O94921 4/20 0.38
CCNY Q8ND76 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.38
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
KDR P35968 1/20 0.37
POLB P06746 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL8599264 0.84 MEN1 (0.41) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8598365 0.83 TYK2 (0.44) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8598941 0.82 TYK2 (0.43) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8599534 0.80 LMNA (0.41) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8597372 0.80 PTGES (0.45) TYK2PTGESMEN1KMT2APOLB
SCHEMBL8595623 0.80 TYK2 (0.41) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8597312 0.80 TP53 (0.43) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8598065 0.79 TYK2 (0.40) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8599983 0.79 TYK2 (0.40) TYK2PTGESMEN1KMT2ACRHBP
SCHEMBL8596165 0.79 TP53 (0.45) TYK2PTGESMEN1KMT2ACRHBP

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