SCHEMBL28169406

SCHEMBL28169406

[N-]=[N+]=NC(=CCCc1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 10/20 0.40
▸ DAO P14920 1/20 0.39
▸ CES2 O00748 2/20 0.37
▸ ESRRA P11474 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ SRD5A2 P31213 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33

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
SCHEMBL28169317 0.87 POLQ (0.41) POLQFFAR4
SCHEMBL28849269 0.85 TAS2R14 (0.36) PDE2ASRD5A2
SCHEMBL28899732 0.77 CES2 (0.41) POLQCES2ESRRAPDE2ARXRA
SCHEMBL28168829 0.72 GPR52 (0.32) —
SCHEMBL28849286 0.71 TDP1 (0.33) —
SCHEMBL28159931 0.70 GPR52 (0.47) FFAR4
SCHEMBL28133636 0.70 GRIK1 (0.46) —
SCHEMBL15094094 0.70 POLQ (0.51) POLQDAOCES2FFAR4
SCHEMBL18299914 0.69 CYP1A1 (0.38) CES2PDE2A
SCHEMBL18299918 0.69 CYP1A1 (0.38) CES2PDE2A

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-107098846-A N- acyl sulfonamides class FBPase inhibitor, its preparation method, pharmaceutical composition and purposes 中国医学科学院药物研究所 2017-08-29 — — CN disclosed
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