SCHEMBL8599475

SCHEMBL8599475

O=C(Nc1cccc2[nH]c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.65
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
PARP1 P09874 1/20 0.51
PTGES O14684 8/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TYK2 P29597 2/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL8602009 0.82 PTGES (0.48) TRPV1PTGES
SCHEMBL8596027 0.82 KMT2A (0.54) TRPV1KDM4EHPGDPARP1MEN1
SCHEMBL8569632 0.81 TRPV1 (0.58) TRPV1HPGDPARP1PTGESMEN1
SCHEMBL8600699 0.81 TRPV1 (0.43) TRPV1HPGDPTGESMEN1KMT2A
SCHEMBL8597015 0.79 MAOB (0.43) TRPV1HPGDPARP1PTGESMEN1
SCHEMBL6313305 0.79 TRPV1 (1.00) TRPV1
SCHEMBL8598212 0.78 KDM4E (0.62) TRPV1KDM4EHPGDPARP1PTGES
SCHEMBL8597518 0.78 PTGES (0.51) TRPV1KDM4EHPGDPTGESMEN1
SCHEMBL8597761 0.78 PTGES (0.52) TRPV1PTGESMEN1KMT2AMAPT
SCHEMBL8662196 0.77 PTGES (0.52) TRPV1HPGDPTGESMEN1KMT2A

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