SCHEMBL25614257

SCHEMBL25614257

O=C(NCc1ccnc(C(F)(F)F)c1)N[C@H]1C[C@@H]2CC[C@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.48
▸ HPGD P15428 2/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.40
▸ EPHX1 P07099 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ LOX P28300 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL30398665 1.00 EPHX2 (0.48) EPHX2HPGDNAMPTLOXL2EPHX1
SCHEMBL25639850 0.95 EPHX2 (0.43) EPHX2HPGDNAMPTLOXL2EPHX1
SCHEMBL30399087 0.93 EPHX2 (0.43) EPHX2HPGDNAMPTEPHX1ALDH1A1
SCHEMBL25614255 0.93 EPHX2 (0.43) EPHX2HPGDNAMPTEPHX1ALDH1A1
SCHEMBL25638931 0.87 EPHX1 (0.42) HPGDNAMPTLOXL2EPHX1MAPT
SCHEMBL25638932 0.87 EPHX1 (0.42) HPGDNAMPTLOXL2EPHX1MAPT
SCHEMBL30398988 0.86 EPHX2 (0.41) EPHX2HPGDNAMPTEPHX1MAPT
SCHEMBL25613761 0.86 EPHX2 (0.41) EPHX2HPGDNAMPTEPHX1MAPT
SCHEMBL30398893 0.84 EPHX2 (0.48) EPHX2HPGDNAMPTEPHX1MAPT
SCHEMBL25615170 0.84 EPHX2 (0.48) EPHX2HPGDNAMPTEPHX1MAPT

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
WO-2023091554-A1 NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS ICAGEN, LLC (US) 2023-05-25 — — WO disclosed
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