SCHEMBL28990887

SCHEMBL28990887

Cn1cc(C(=O)Nc2ccc(F)cc2OC(F)C(F)(F)C(F)(F)F)c(C(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.41
MRGPRX1 Q96LB2 4/20 0.39
LMNA P02545 1/20 0.38
GPR6 P46095 3/20 0.38
ALK Q9UM73 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL21638776 0.84 DHODH (0.39) DHODHMRGPRX1LMNAGPR6HSD17B10
SCHEMBL232894 0.82 RECQL (0.41) DHODHMRGPRX1LMNAGPR6
SCHEMBL29419142 0.82 RECQL (0.41) DHODHMRGPRX1LMNAGPR6
SCHEMBL28960157 0.82 ATM (0.43) DHODH
SCHEMBL1145131 0.79 HSD17B10 (0.41) LMNAHSD17B10
SCHEMBL31375266 0.79 HSD17B10 (0.41) LMNAHSD17B10
SCHEMBL19458056 0.78 TSHR (0.42) DHODHMRGPRX1GPR6
SCHEMBL971255 0.78 ATM (0.50) LMNAHSD17B10
SCHEMBL972387 0.78 ALOX15 (0.53) LMNA
SCHEMBL68046 0.76 TSHR (0.49) DHODHLMNA

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-108658816-B N-aryl amidine substituted trifluoroethyl sulfide derivatives useful as acaricides and insecticides 拜尔农作物科学股份公司 2023-05-02 CN claimed