SCHEMBL5244407

SCHEMBL5244407

C=CCCCOc1cc(C(=O)NCC(F)(F)F)ccc1-n1cc(C(=O)NC(C)(C)CO)nn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.33
▸ CNR1 P21554 12/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ BRAF P15056 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 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
SCHEMBL5244665 0.93 NOTUM (0.34) CNR2NOTUMBRAFPSEN1PSEN2
SCHEMBL5243897 0.91 BRD4 (0.36) CNR2CNR1DGAT2
SCHEMBL5243686 0.89 CNR2 (0.40) CNR2CNR1NOTUM
SCHEMBL3111906 0.89 SMPD1 (0.38) NOTUM
SCHEMBL5247054 0.88 NOTUM (0.34) NOTUMBRAFPSEN1PSEN2APH1B
SCHEMBL5249178 0.88 SMPD1 (0.34) NOTUM
SCHEMBL3116642 0.87 TP53 (0.40) BRAF
SCHEMBL5244268 0.87 PDK2 (0.35) —
SCHEMBL3117550 0.87 NOTUM (0.39) NOTUMBRAFPSEN1PSEN2APH1B
SCHEMBL5247637 0.87 DGAT1 (0.33) NOTUMBRAF

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — EP disclosed
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