SCHEMBL30952807

SCHEMBL30952807

Nc1cc(C(F)(F)C2CC2)nn1-c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ORAI1 Q96D31 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1006079 0.81 KDM4E (0.51) KDM4EL3MBTL1
SCHEMBL30952816 0.71
SCHEMBL824603 0.65 CYP1A2 (0.56) KDM4EL3MBTL1LMNAPKMRAB9A
SCHEMBL30952803 0.64 MGLL (0.31)
SCHEMBL6343666 0.64 KDM4E (0.50) KDM4EL3MBTL1NPC1TP53RAB9A
SCHEMBL1012318 0.59 CYP1A2 (0.53) KDM4EL3MBTL1NPC1LMNATP53
SCHEMBL1012734 0.58 PTGS1 (0.63) KDM4EL3MBTL1NPC1LMNATP53
SCHEMBL1668202 0.58 CRACR2A (0.55) KDM4EORAI1
SCHEMBL1013458 0.58 MAPT (0.47) KDM4EL3MBTL1NPC1TP53RAB9A
SCHEMBL16794528 0.57 NR3C2 (0.45) KDM4ESMN1; 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 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