SCHEMBL31456648

SCHEMBL31456648

Nc1nc2cc(OC(F)F)cnc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.37
TP53 P04637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
SLC6A2 P23975 1/20 0.37
SCN4A P35499 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37

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
SCHEMBL31456669 0.81 KMT2A (0.34)
SCHEMBL368903 0.73 AXL (0.46) CYP3A4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL8472326 0.72 SMN1; SMN2 (0.38) CYP3A4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL558343 0.70 RAB9A (0.68) CYP3A4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL360736 0.69 HTT (0.41) CYP3A4TP53RAB9ASMN1; SMN2GAA
SCHEMBL19329221 0.69 ALDH1A1 (0.38) CYP3A4TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL359702 0.69 SMN1; SMN2 (0.36) CYP3A4TP53NPC1RAB9ASMN1; SMN2
SCHEMBL25309995 0.68 MBOAT4 (0.34) MAP4K4ROCK1BACE1
SCHEMBL31019066 0.68 MBOAT4 (0.34) MAP4K4ROCK1BACE1
SCHEMBL31456645 0.68 RAB9A (0.39) CYP3A4TP53NPC1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998271-A Pyridone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-05-13 CN disclosed
WO-2025067126-A1 PYRIDONE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND APPLICATION 深圳信立泰药业股份有限公司 2025-04-03 WO disclosed