SCHEMBL20548985

SCHEMBL20548985

O=C(Cl)c1ccc2nn(-c3cccnc3)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
ADORA3 P0DMS8 4/20 0.40
RIPK2 O43353 2/20 0.39
TLR8 Q9NR97 1/20 0.38
MAPT P10636 5/20 0.37
MAPK1 P28482 3/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
F2 P00734 1/20 0.36
F12 P00748 1/20 0.36
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DGAT1 O75907 1/20 0.36
LMNA P02545 2/20 0.35
HDAC1 Q13547 1/20 0.35
ADORA1 P30542 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
SCHEMBL30872907 1.00 ESR2 (0.45) ESR2ADORA3RIPK2TLR8MAPT
SCHEMBL17802507 0.88 ESR2 (0.49) ESR2ADORA3RIPK2TLR8MAPT
SCHEMBL31457215 0.88 ESR2 (0.49) ESR2ADORA3RIPK2TLR8MAPT
SCHEMBL29564697 0.87 MKNK1 (0.46) ESR2ADORA3TLR8ALDH1A1HPGD
SCHEMBL19328774 0.87 MKNK1 (0.46) ESR2ADORA3TLR8ALDH1A1HPGD
SCHEMBL17802466 0.84 CYP19A1 (0.53) ESR2ADORA3MAPTMAPK1ALDH1A1
SCHEMBL30872906 0.84 CYP19A1 (0.53) ESR2ADORA3MAPTMAPK1ALDH1A1
SCHEMBL31457231 0.84 ESR2 (0.42) ESR2ADORA3RIPK2TLR8MAPT
SCHEMBL31375424 0.82 MAPK1 (0.44) ESR2ADORA3RIPK2TLR8MAPT
SCHEMBL20548980 0.82 ADORA3 (0.46) ESR2ADORA3RIPK2MAPTMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635984-B Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-13 CN claimed
EP-3044220-B1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2018-11-07 EP claimed
CN-112608300-B Heterocyclic substituted bicyclic azole pesticides FMC公司 2024-04-26 CN disclosed
EP-3424919-B1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2022-04-27 EP disclosed
CN-112679467-A Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-20 CN disclosed
CN-107635984-B Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-13 CN disclosed
CN-112608300-A Heterocyclic substituted bicyclic azoles as pesticidal agents FMC公司 2021-04-06 CN disclosed
EP-3044220-B1 HETEROCYCLE-SUBSTITUTED BICYCLIC AZOLE PESTICIDES FMC CORP (US) 2018-11-07 EP disclosed