SCHEMBL31457232

SCHEMBL31457232

Brc1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
CYP2A6 P11509 3/20 0.41
TLR8 Q9NR97 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 2/20 0.37
RXFP1 Q9HBX9 3/20 0.37
KMT2A Q03164 1/20 0.37
USP8 P40818 1/20 0.36
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
HTT P42858 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL17731486 1.00 ESR2 (0.47) ESR2CYP11B1CYP11B2CYP2A6TLR8
SCHEMBL26683963 0.83 ESR2 (0.43) ESR2CYP11B1CYP11B2HTTHDAC8
SCHEMBL28748630 0.83 ESR2 (0.66) ESR2CYP2A6KMT2AHTTHDAC8
SCHEMBL26090752 0.81 ESR2 (0.47) ESR2CYP1A2CYP2C19KMT2AHTT
SCHEMBL17802506 0.81 CYP11B2 (0.50) ESR2CYP11B1CYP11B2CYP2A6TLR8
SCHEMBL17802518 0.80 CYP2A6 (0.46) ESR2CYP2A6TLR8CYP3A4KMT2A
SCHEMBL19581887 0.79 ESR2 (0.43) ESR2CYP11B1CYP11B2CYP2A6TLR8
SCHEMBL20549167 0.79 ESR2 (0.43) ESR2CYP2A6TLR8KMT2AHTT
SCHEMBL20549166 0.79 ESR2 (0.43) ESR2CYP11B1CYP11B2CYP2A6TLR8
SCHEMBL17812048 0.79 ESR2 (0.43) ESR2CYP2A6TLR8CYP3A4CYP2E1

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
WO-2025202955-A1 FUSED BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2025-10-02 WO disclosed
CN-119546584-A Bicyclic compounds and their use as pest control agents PI工业有限公司 2025-02-28 CN disclosed