SCHEMBL29937566

SCHEMBL29937566

COC(=O)c1cc(OC(F)(F)F)ccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ IGF2BP2 Q9Y6M1 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL24391534 1.00 MRGPRX4 (0.44) MRGPRX4EPHX2KDM4ECYP1A2CYP2D6
SCHEMBL31168086 0.88 MRGPRX4 (0.44) MRGPRX4EPHX2KDM4EBACE1GAA
SCHEMBL12818154 0.88 MRGPRX4 (0.46) MRGPRX4EPHX2KDM4ECYP1A2CYP2D6
SCHEMBL26612154 0.86 POLB (0.46) KDM4EPOLBALDH1A1HPGD
SCHEMBL13201484 0.85 MAPT (0.44) EPHX2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL8232877 0.85 CYP2C9 (0.54) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL149036 0.84 KDM4E (0.55) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25253763 0.82 KDM4E (0.36) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21994382 0.82 KDM4E (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1435026 0.81 CFTR (0.57) MRGPRX4KDM4ECYP2C19KMT2ACFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115023426-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达农作物保护股份公司 2024-11-12 — — CN disclosed
EP-4087841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2022-11-16 — — EP disclosed
CN-115023426-A Pesticidally active heterocyclic derivatives with sulfur-containing substituents 先正达农作物保护股份公司 2022-09-06 — — CN disclosed
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