SCHEMBL31362958

SCHEMBL31362958

Cn1ncc(Oc2cc(C(F)(F)F)ccn2)c1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
FLT1 P17948 3/20 0.34
KDR P35968 3/20 0.34
FPR2 P25090 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SYK P43405 3/20 0.33
P2RX3 P56373 2/20 0.33
MGLL Q99685 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
SCHEMBL31363015 0.86 SORT1 (0.39) SCN9ASCN7AKCNH2FLT1KDR
SCHEMBL31362992 0.71 CETP (0.35) FLT1KDRHCRTR1HCRTR2RAB9A
SCHEMBL31719628 0.67 PPARG (0.47) GAA
SCHEMBL11007973 0.66 KMT2A (0.48) SCN9AFPR2HCRTR1HCRTR2P2RX3
SCHEMBL31362961 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13020077 0.65 NOS3 (0.48) SCN9ASCN7AKCNH2FPR2HCRTR1
SCHEMBL21807935 0.65 CYP1A2 (0.46) GAAL3MBTL1
SCHEMBL31362989 0.65 GABRG2 (0.35) ALDH1A1
SCHEMBL27851782 0.65 ALDH1A1 (0.49) SCN9ASCN7AKCNH2KDRFPR2
SCHEMBL4318562 0.65 LMNA (0.67) SCN9ASCN7AKCNH2KDRFPR2

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-2025033011-A1 FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE 日本曹達株式会社 2025-02-13 WO disclosed