SCHEMBL31141489

SCHEMBL31141489

COC(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)nnc3n2C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ PDE10A Q9Y233 2/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC6A15 Q9H2J7 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ AGPAT2 O15120 2/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ RORC P51449 1/20 0.32

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
SCHEMBL18498690 1.00 NOTUM (0.40) NOTUMMAPTCYP2C9KDM4EALDH1A1
SCHEMBL19877212 0.89 MAPT (0.37) NOTUMMAPTKDM4EALDH1A1HPGD
SCHEMBL18506249 0.84 DDR1 (0.35) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18498705 0.84 POLB (0.33) NOTUMMAPTKDM4EALDH1A1HPGD
SCHEMBL18498637 0.83 POLB (0.46) NOTUMMAPTALDH1A1HPGDAGPAT2
SCHEMBL31141521 0.83 POLB (0.46) NOTUMMAPTALDH1A1HPGDAGPAT2
SCHEMBL31141506 0.81 CYP11B1 (0.39) CYP2C9PDE2APDE10A
SCHEMBL31141505 0.81 CYP11B1 (0.39) CYP2C9PDE2APDE10A
SCHEMBL18498619 0.81 CYP11B1 (0.39) CYP2C9PDE2APDE10A
SCHEMBL21796215 0.81 MAPT (0.32) MAPTKDM4EALDH1A1HPGDSMN1; 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-118955472-A 2- (Hetero) aryl substituted fused heterocyclic derivatives as pesticides 拜耳作物科学股份公司 2024-11-15 — — CN disclosed
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