SCHEMBL7230573

SCHEMBL7230573

COC(=O)Cc1ccc(C(=S)N(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 3/20 0.37

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
SCHEMBL3726231 0.80 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7240860 0.78 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20424972 0.78 PDGFRB (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL20045093 0.77 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16412469 0.77 PDGFRB (0.57) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31170840 0.77 ALDH1A1 (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL286994 0.77 ALDH1A1 (0.59) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3726006 0.76 ALDH1A1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13079792 0.76 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL731999 0.76 MEN1 (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6544989-B2 Fungicidal, insecticidal, acaricidal, molluscicidal or nematicidal composition SYNGENTA LIMITED (GB) 2003-04-08 — — US disclosed
EP-1100798-B1 BENZAZOLE, BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LTD (GB) 2002-09-18 — — EP disclosed
EP-1100798-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES Zeneca Limited (GB) 2001-05-23 — — EP disclosed
WO-2000006566-A1 BENZAZOLES: BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-02-10 — — WO disclosed
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