SCHEMBL6866444

SCHEMBL6866444

COC(=O)C(=Cc1ccc(C(N)=O)s1)NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
PRSS1 P07477 3/20 0.35
TMPRSS15 P98073 3/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
IKBKB O14920 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
OPRM1 P35372 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RARA P10276 1/20 0.30

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
SCHEMBL27521518 0.81 L3MBTL1 (0.40) LMNAMAPTNPSR1MEN1KMT2A
SCHEMBL4150610 0.75 F2 (0.48) F2PRSS1TMPRSS15LMNAMAPT
SCHEMBL8430296 0.72 MEN1 (0.47) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL8430294 0.72 MEN1 (0.47) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL187458 0.68 MEN1 (0.56) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL186729 0.68 MEN1 (0.56) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL3682708 0.68 MEN1 (0.56) LMNANPSR1MEN1KMT2AALDH1A1
SCHEMBL4388032 0.68 DAO (0.37) F2LMNAMAPTNPSR1MEN1
SCHEMBL4388033 0.68 DAO (0.37) F2LMNAMAPTNPSR1MEN1
SCHEMBL11720751 0.67 ALDH1A1 (0.49) MAPTMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171861-C halogenated amidino amino acid derivatives useful as nitric oxide synthase inhibitors GD 2004-10-20 CN disclosed
EP-1415982-A1 Halogenated amidino amino acid derivatives useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2004-05-06 EP disclosed
US-6344483-B1 Halogenated amidino amino acid deviratives useful as nitric oxide synthase inhibitors G. D. SEARLE & CO. 2002-02-05 US disclosed
EP-1062201-A2 HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 2000-12-27 EP disclosed
WO-1999046240-A2 HALOGENATED AMIDINO AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-09-16 WO disclosed