SCHEMBL30587850

SCHEMBL30587850

O=C1NCC(c2ccc(C(F)(F)F)cc2)=C1O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.44
▸ KDR P35968 1/20 0.44
▸ COMT P21964 1/20 0.41
▸ TDP2 O95551 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ AR P10275 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL11094421 0.76 KIF11 (0.50) KIF11KDRPTGS2PTGS1PARP1
SCHEMBL11086876 0.76 PTGS1 (0.44) KIF11KDRTDP2NISCHPTGS2
SCHEMBL11093596 0.72 PARP1 (0.46) KIF11KDRTDP2PARP1PARP2
SCHEMBL11096436 0.66 KIF11 (0.43) KIF11KDRCOMTTDP2NISCH
SCHEMBL8352439 0.66 TDP2 (0.45) KIF11KDRCOMTTDP2NISCH
SCHEMBL13290021 0.65 KIF11 (0.56) KIF11COMTARNOTUMBACE1
SCHEMBL197238 0.63 KIF11 (0.78) KIF11
SCHEMBL13410633 0.63 KIF11 (0.78) KIF11
SCHEMBL29914837 0.63 KIF11 (0.78) KIF11
SCHEMBL12675678 0.63 KIF11 (1.00) KIF11PTGS2PTGS1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504173-A2 4-PHENYL-2-PYRROLIDINONES AND METHODS OF USING THEREOF North Carolina State University (US) 2025-02-12 — — EP disclosed
WO-2023196678-A2 4-PHENYL-2-PYRROLIDINONES AND METHODS OF USING THEREOF NORTH CAROLINA STATE UNIVERSITY (US) 2023-10-12 — — WO disclosed
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