SCHEMBL27604855

SCHEMBL27604855

NCc1cc(Br)c(F)cc1CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.33
▸ ICMT O60725 3/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ SLC9A1 P19634 1/20 0.32
▸ KDM1A O60341 4/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ KDM1B Q8NB78 2/20 0.32
▸ RORC P51449 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL27901484 0.90 KDM1A (0.33) KIF11KDM1AKCNH2KDM1B
SCHEMBL4314806 0.84 KIF11 (0.36) KIF11ICMTDGAT1SLC9A1KDM1A
SCHEMBL24575335 0.84 KDM1A (0.38) KIF11ICMTDGAT1SLC9A1KDM1A
SCHEMBL30886492 0.81 KIF11 (0.34) KIF11ICMTDGAT1SLC9A1KDM1A
SCHEMBL16005219 0.78 DGAT1 (0.36) KIF11ICMTDGAT1SLC9A1KDM1A
SCHEMBL30886409 0.74 TDO2 (0.39) —
SCHEMBL30886441 0.74 HDAC1 (0.35) KIF11ICMTDGAT1SLC9A1RORC
SCHEMBL2530790 0.73 KDM1A (0.39) KDM1AKCNH2KDM1B
SCHEMBL2039343 0.73 KDM1A (0.35) KDM1AKCNH2KDM1B
SCHEMBL856202 0.73 KDM1A (0.44) KDM1AKCNH2KDM1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 — — CN disclosed
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