SCHEMBL31552452

SCHEMBL31552452

O=C(O)c1nnn(-c2ccc(F)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL30839572 0.87 L3MBTL1 (0.39) L3MBTL1NPC1RAB9ACES2CES1
SCHEMBL26961750 0.87 L3MBTL1 (0.47) L3MBTL1NPC1RAB9ACES2CES1
SCHEMBL30839580 0.86 GAA (0.46) L3MBTL1NPC1RAB9AALDH1A1CYP2C19
SCHEMBL15022419 0.81 NOTUM (0.41) KDM4ESMN1; SMN2
SCHEMBL25414630 0.80 SMN1; SMN2 (0.45) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL2331296 0.78 NPC1 (0.53) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL15019980 0.76 NOTUM (0.43) KMONPC1KDM4E
SCHEMBL31568309 0.74 NPC1 (0.37) L3MBTL1NPC1RAB9AHTTKDM4E
SCHEMBL23354661 0.73 KMO (0.41) KMOL3MBTL1CES2CES1HTT
SCHEMBL26962171 0.72 NPC1 (0.38) L3MBTL1NPC1RAB9AHTTKDM4E

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-119998270-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2025-05-13 CN disclosed
CN-119998269-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2025-05-13 CN disclosed