SCHEMBL25615176

SCHEMBL25615176

O=C(NCc1ccnc(Br)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
▸ NAMPT P43490 1/20 0.43
▸ EPHX1 P07099 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ P2RX7 Q99572 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
SCHEMBL25615170 1.00 EPHX2 (0.48) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL30398893 1.00 EPHX2 (0.48) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL25638890 0.85 EPHX2 (0.45) EPHX2NAMPTMAPTHPGDSMN1; SMN2
SCHEMBL25615095 0.85 EPHX2 (0.45) EPHX2NAMPTMAPTHPGDSMN1; SMN2
SCHEMBL30399847 0.85 EPHX2 (0.45) EPHX2NAMPTMAPTHPGDSMN1; SMN2
SCHEMBL25614257 0.84 EPHX2 (0.48) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL30398665 0.84 EPHX2 (0.48) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL30399057 0.83 EPHX2 (0.45) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL30399998 0.83 EPHX2 (0.45) EPHX2NAMPTEPHX1MAPTHPGD
SCHEMBL25614788 0.83 EPHX2 (0.45) EPHX2NAMPTEPHX1MAPTHPGD

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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