SCHEMBL30952804

SCHEMBL30952804

CNc1c(-c2ccc(C(F)(F)F)s2)c(C(F)(F)F)nn1-c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.34
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
ATM Q13315 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL30952811 0.81 POLB (0.39) POLBGRIN2BKDM4E
SCHEMBL30952812 0.81 POLB (0.39) POLBGRIN2BKDM4E
SCHEMBL13300341 0.81 POLB (0.50) GLAADORA2BADORA1LMNAPOLB
SCHEMBL30952800 0.81 GRIN2B (0.35) POLBGRIN2B
SCHEMBL1007170 0.78 KDM4E (0.50) GLAADORA2BADORA1LMNAPOLB
SCHEMBL13300342 0.70 POLB (0.47) GLAADORA2BADORA1LMNAPOLB
SCHEMBL30952803 0.70 MGLL (0.31)
SCHEMBL1007242 0.68 SMN1; SMN2 (0.39) GLALMNAPOLBKDM4EMAPT
SCHEMBL30952798 0.65 HDAC6 (0.43)
SCHEMBL13300343 0.62 NPC1 (0.45) GLAADORA1LMNAPOLBNPC1

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-2024121261-A1 INSECTICIDAL COMPOUND BASED ON PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-13 WO disclosed