SCHEMBL9515399

SCHEMBL9515399

COc1cnc(-c2ccc(OC(F)(F)C(F)C(F)F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 1/20 0.44
▸ CHRNA7 P36544 8/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL9511816 0.85 NPC1 (0.51) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9511721 0.85 NPC1 (0.45) KDM4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9511827 0.85 CHRNA7 (0.38) CLK4CHRNA7KDM4EMAPTTP53
SCHEMBL9514517 0.83 RAB9A (0.49) KDM4EMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9061842 0.83 CHRNA7 (0.51) CLK4CHRNA7
SCHEMBL9513845 0.82 RAB9A (0.39) CLK4CHRNA7KDM4EMAPTTP53
SCHEMBL9511782 0.82 RAB9A (0.48) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL9513691 0.82 RAB9A (0.48) KDM4EMAPTTP53RAB9ASMN1; SMN2
SCHEMBL9062065 0.81 CHRNA7 (0.50) CLK4CHRNA7
SCHEMBL9513800 0.80 RARB (0.44) CHRNA7KDM4EMAPTRAB9ASMN1; SMN2

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-0387315-B1 FLUORINATED ALKOXYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 — — EP disclosed
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