SCHEMBL25880732

SCHEMBL25880732

NC(=O)NCc1ccnc(-c2cnco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.46
▸ GSK3B P49841 1/20 0.39
▸ ADORA2A P29274 5/20 0.38
▸ ADORA1 P30542 4/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ MYC P01106 1/20 0.35
▸ LOXL2 Q9Y4K0 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ VHL P40337 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 2/20 0.34

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
SCHEMBL25255179 0.81 NAMPT (0.43) CYP4F2CYP4A11NAMPT
SCHEMBL9454814 0.78 RECQL (0.43) RECQLCYP4F2CYP4A11LOXL2ROCK2
SCHEMBL25202974 0.78 LOXL2 (0.53) CYP4F2CYP4A11LOXL2ROCK2PKM
Hydrochloric Acid SCHEMBL25233438 0.76 LOXL2 (0.51) CYP4F2CYP4A11LOXL2ROCK2PKM
SCHEMBL30398877 0.76 NAMPT (0.41) GSK3BNAMPTVHLNPC1ALDH1A1
SCHEMBL25613777 0.76 NAMPT (0.41) GSK3BNAMPTVHLNPC1ALDH1A1
SCHEMBL25301777 0.74 EPHX1 (0.43) GSK3BNAMPTVHLSMN1; SMN2RAB9A
SCHEMBL25301775 0.74 EPHX1 (0.43) GSK3BNAMPTVHLSMN1; SMN2RAB9A
SCHEMBL31286041 0.71 RECQL (0.50) RECQLCYP2C9CYP2C19NAMPTSMN1; SMN2
SCHEMBL25613407 0.71 GABRP (0.57) RECQLCYP2C9CYP2C19ROCK2ALDH1A1

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-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 — — WO disclosed
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