SCHEMBL31258556

SCHEMBL31258556

Cc1cnccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.60
CYP19A1 P11511 1/20 0.50
CYP17A1 P05093 7/20 0.49
CYP1A2 P05177 7/20 0.49
TNF P01375 1/20 0.48
TRPA1 O75762 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
NOTUM Q6P988 1/20 0.46
RPS6KA3 P51812 1/20 0.46
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CYP2E1 P05181 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2A6 P11509 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2B6 P20813 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C8 P10632 1/20 0.45

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
SCHEMBL9169968 1.00 GRM4 (0.60) GRM4CYP19A1CYP17A1CYP1A2TNF
SCHEMBL21202128 0.89 GRM4 (0.51) GRM4CYP19A1S1PR1S1PR3RPS6KA3
SCHEMBL23873492 0.87 GRM4 (0.53) GRM4CYP19A1CYP17A1CYP1A2TNF
SCHEMBL31387853 0.87 GRM4 (0.53) GRM4CYP19A1CYP17A1CYP1A2TNF
SCHEMBL12258294 0.86 GRM4 (0.50) GRM4CYP19A1CYP17A1CYP1A2NOTUM
SCHEMBL30395768 0.86 GRM4 (0.50) GRM4CYP19A1CYP17A1CYP1A2NOTUM
SCHEMBL10205403 0.85 CYP19A1 (0.61) GRM4CYP19A1CYP1A2CCNCCDK8
SCHEMBL18174564 0.83 GRM4 (0.49) GRM4CYP19A1CYP17A1CYP1A2TNF
SCHEMBL13347733 0.83 RPS6KA3 (0.51) GRM4CYP19A1S1PR1RPS6KA3CCNC
SCHEMBL10205412 0.83 CYP17A1 (0.58) CYP17A1CYP1A2TNFNOTUMRPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115702153-B Microbiocidal derivatives 先正达农作物保护股份公司 2025-06-24 CN disclosed
CN-119998270-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2025-05-13 CN disclosed
CN-119998269-A Microbiocidal pyrazole derivatives 先正达农作物保护股份公司 2025-05-13 CN disclosed
CN-119855495-A New application of fluxapyroxad hydroxylamine 先正达农作物保护股份公司 2025-04-18 CN disclosed
CN-119546581-A Solid forms of heterocyclic amide derivatives 先正达农作物保护股份公司 2025-02-28 CN disclosed
CN-119486591-A Precise applicators and compositions 先正达农作物保护股份公司 2025-02-18 CN disclosed
CN-119403445-A Fungicidal compositions 先正达农作物保护股份公司 2025-02-07 CN disclosed
CN-113924294-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-12-06 CN disclosed
CN-119095487-A Fungicidal compositions 先正达农作物保护股份公司 2024-12-06 CN disclosed