SCHEMBL12406548

SCHEMBL12406548

Cc1ccc(/C=C2\SC(=O)N(Cc3ccc(-c4ccccc4C#N)cc3)C2=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.47
▸ ENPP2 Q13822 8/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PTPN1 P18031 4/20 0.44
▸ ACP1 P24666 4/20 0.44
▸ SLC2A1 P11166 2/20 0.44
▸ AGTR1 P30556 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43

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
SCHEMBL2172012 0.91 SLC2A1 (0.54) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL2172015 0.91 SLC2A1 (0.54) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL13624279 0.91 SLC2A1 (0.54) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL2172758 0.81 HSD17B3 (0.51) ENPP2PPARGPTPN1ACP1AGTR1
SCHEMBL2172764 0.81 HSD17B3 (0.51) ENPP2PPARGPTPN1ACP1AGTR1
SCHEMBL2175489 0.75 SLC2A1 (0.61) PIM1ENPP2PTPN1ACP1SLC2A1
SCHEMBL2175486 0.75 SLC2A1 (0.61) PIM1ENPP2PTPN1ACP1SLC2A1
SCHEMBL12406497 0.75 SLC2A1 (0.61) PIM1ENPP2PTPN1ACP1SLC2A1
SCHEMBL1614982 0.74 SLC2A1 (0.66) PIM1ENPP2PPARGPTPN1ACP1
SCHEMBL2171655 0.74 SLC2A1 (0.66) PIM1ENPP2PPARGPTPN1ACP1

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
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 — — US disclosed
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