SCHEMBL31363015

SCHEMBL31363015

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.39
FAAH O00519 1/20 0.38
SCN9A Q15858 3/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4C Q9H3R0 2/20 0.36
KDM2B Q8NHM5 1/20 0.36
FLT1 P17948 3/20 0.36
KDR P35968 3/20 0.36
FPR2 P25090 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL31362958 0.86 SCN9A (0.36) SCN9ASCN7AKCNH2FLT1KDR
SCHEMBL31719628 0.80 PPARG (0.47) GAAPPARG
SCHEMBL31362992 0.74 CETP (0.35) SORT1FLT1KDRRAB9AHCRTR1
SCHEMBL4320008 0.70 LOXL2 (0.59) FAAHSCN9ASCN7AKCNH2FPR2
SCHEMBL16617320 0.69 L3MBTL1 (0.35) FLT1KDRALDH1A1GAAL3MBTL1
SCHEMBL11007973 0.69 KMT2A (0.48) SCN9AFPR2HCRTR1HCRTR2PPARG
SCHEMBL16458320 0.69 NOS3 (0.46) SORT1FAAHSCN9ASCN7AKCNH2
SCHEMBL22511374 0.68 CXCL8 (0.53) FAAHHCRTR1HCRTR2PPARG
SCHEMBL29276080 0.68 KDM4E (0.45) SORT1NPC1RAB9AALDH1A1KDM4E
SCHEMBL27851782 0.68 ALDH1A1 (0.49) SORT1SCN9ASCN7AKCNH2KDR

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