SCHEMBL25890294

SCHEMBL25890294

CO/N=C(/c1ccc(N)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ATM Q13315 1/20 0.38
CCR5 P51681 9/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
NFE2L2 Q16236 1/20 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
SCHEMBL25890258 0.84 RAB9A (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25890252 0.84 RAB9A (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25890263 0.83 POLB (0.42) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25890281 0.80 CCR5 (0.45) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25890295 0.78 SLC6A3 (0.40) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL15851078 0.76 RAB9A (0.40) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL17217538 0.76 RAB9A (0.40) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL25890299 0.75 F11 (0.37) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL391910 0.75 CYP1A2 (0.56) CCR5CYP1A2
SCHEMBL18574082 0.75 CYP1A2 (0.56) CCR5CYP1A2

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-3877372-B1 ENANTIOSELECTIVE REDUCTION OF OXIME-DERIVATIVES INVOLVING IRIDIUM BASED CATALYSTS SYNGENTA CROP PROTECTION AG (CH) 2023-08-02 EP disclosed