SCHEMBL8596165

SCHEMBL8596165

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
PTGES O14684 11/20 0.40
TYK2 P29597 1/20 0.40
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LCK P06239 2/20 0.39
MMP2 P08253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 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 0.91 TP53 (0.43) TP53PTGESTYK2MEN1CRHBP
SCHEMBL8597937 0.89 TP53 (0.43) TP53PTGESTYK2MEN1CRHBP
SCHEMBL8600640 0.88 TP53 (0.53) TP53MEN1HTTKMT2ASMN1; SMN2
SCHEMBL8601161 0.87 TP53 (0.46) TP53PTGESTYK2MEN1CRHBP
SCHEMBL8595161 0.87 PTGES (0.42) TP53PTGESTYK2CYP1A2CYP2C9
SCHEMBL8596911 0.87 TP53 (0.39) TP53PTGESTYK2MEN1CRHBP
Hydrochloric Acid SCHEMBL8602410 0.87 TP53 (0.45) TP53PTGESTYK2MEN1CRHBP
SCHEMBL8602450 0.87 TP53 (0.41) TP53PTGESTYK2MEN1CRHBP
SCHEMBL8670347 0.87 MAPT (0.48) TP53PTGESHTT
SCHEMBL8597372 0.87 PTGES (0.45) TP53PTGESTYK2MEN1KMT2A

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