SCHEMBL5248779

SCHEMBL5248779

O=C(NCC(F)(F)F)c1ccc(-n2cc(C(=O)NOCc3ccccc3)nn2)c(OCCCCCCF)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ BRD4 O60885 4/20 0.35
▸ MIF P14174 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ CHEK1 O14757 1/20 0.33

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
SCHEMBL5246360 0.91 BRD4 (0.45) BRD4MIFNOTUM
SCHEMBL5244580 0.89 EPHX2 (0.35) EPHX2BRD4MIFNOTUMNPC1
SCHEMBL5247405 0.88 MLYCD (0.41) BRD4MIFNPC1RAB9A
SCHEMBL3113668 0.87 NOTUM (0.39) EPHX2NOTUMLOXL2
SCHEMBL3114843 0.86 NOTUM (0.40) EPHX2NOTUMLOXL2PSEN1PSEN2
SCHEMBL5246036 0.85 NPC1 (0.41) BRD4NPC1RAB9A
SCHEMBL3115101 0.85 SMPD1 (0.43) NOTUMLOXL2
SCHEMBL5247715 0.84 GLS (0.45) EPHX2MIFPSEN1PSEN2APH1B
SCHEMBL5244565 0.84 NOTUM (0.35) NOTUMLOXL2PSEN1PSEN2APH1B
SCHEMBL3117435 0.84 SMPD1 (0.36) NOTUMLOXL2PSEN1PSEN2APH1B

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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