SCHEMBL28695285

SCHEMBL28695285

Cn1c(-c2cccnc2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.52
CYP11B1 P15538 4/20 0.52
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.46
KIT P10721 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL355251 0.86 POLB (0.46) KITALDH1A1NPC1RAB9APOLB
SCHEMBL31141582 0.81 POLB (0.48) PTGS1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL17896626 0.81 HTR2B (0.67) CYP11B2CYP11B1HTR2BHTR6PTGS2
SCHEMBL357857 0.80 PDE10A (0.48) PTGS2SMN1; SMN2POLB
SCHEMBL10284530 0.80 SYK (0.44) KITALDH1A1HPGDKDM4EGAA
SCHEMBL4398672 0.79 POLB (0.43) HTR2BHTR6PTGS2ALDH1A1HPGD
SCHEMBL116863 0.79 POLB (0.43) CYP11B2CYP11B1SMN1; SMN2POLB
SCHEMBL29431624 0.79 POLB (0.43) PTGS2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL14676731 0.79 POLB (0.43) PTGS2ALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL115623 0.79 POLB (0.43) CYP11B2CYP11B1HTR2BHTR6SMN1; 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
CN-114008043-A Fused heterocyclic compound and use thereof as pest control agent PI工业有限公司 2022-02-01 CN disclosed