SCHEMBL29168501

SCHEMBL29168501

[O]Cc1cc(Cl)c(F)cc1-n1cc(C(F)(F)F)nn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ AR P10275 2/20 0.36
▸ NOTUM Q6P988 12/20 0.34
▸ F11 P03951 2/20 0.33
▸ DHODH Q02127 1/20 0.32
▸ KLKB1 P03952 1/20 0.31

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
SCHEMBL31234767 0.71 NOTUM (0.41) GABRA2GABRB2ARNOTUMF11
SCHEMBL16971662 0.70 GABRA2 (0.34) GABRA2GABRB2ARNOTUMF11
SCHEMBL20181201 0.69 F11 (0.42) GABRA2GABRB2ARNOTUMF11
SCHEMBL18797529 0.69 NOTUM (0.44) GABRA2GABRB2ARNOTUMF11
SCHEMBL29903205 0.69 NOTUM (0.44) GABRA2GABRB2ARNOTUMF11
SCHEMBL31234512 0.67 SIGMAR1 (0.45) GABRA2GABRB2ARNOTUM
SCHEMBL24168775 0.67 GABRA2 (0.43) GABRA2GABRB2ARNOTUM
SCHEMBL16982977 0.67 NOTUM (0.51) GABRA2GABRB2ARNOTUMF11
SCHEMBL30334557 0.67 GABRA2 (0.43) GABRA2GABRB2ARNOTUM
SCHEMBL16974766 0.67 NOTUM (0.39) GABRA2GABRB2ARNOTUMF11

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-117337170-A Comprises (4S) -2 4 -chloro-4-ethyl-7 3 -fluoro-3 5 -methoxy-3 2 5-dioxo-1 4 - (trifluoromethyl) -3 2 H-6-aza-3 (4, 1) -pyridine-1 (1) - [1,2,3]Triazole-2 (1, 2), 7 (1) -diphenyl heptatomato-7 4 Pharmaceutical dosage form of formamide 拜耳公司 2024-01-02 — — CN disclosed
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