SCHEMBL8665248

SCHEMBL8665248

C=Cc1cc(C)c(C(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.40
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ GPR35 Q9HC97 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ VCAM1 P19320 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL8667445 0.84 TSHR (0.39) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL8665677 0.84 TSHR (0.39) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL8667439 0.84 TSHR (0.39) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL27530166 0.82 TSHR (0.38) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL773100 0.82 TSHR (0.47) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL11404100 0.80 TSHR (0.50) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL8667437 0.80 PDGFRB (0.38) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL8667434 0.80 PDGFRB (0.38) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL7792924 0.79 SLC9A1 (0.45) —
SCHEMBL8665703 0.78 PDGFRB (0.47) TSHRPDGFRBFGFR1PDGFRAFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063438-C Alkenyl-benzoyl guanidine derivant MERCK PATENT GMBH (DE) 2001-03-21 — — CN disclosed
US-5731351-A Alkenyl-benzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-03-24 — — US disclosed
CN-1150947-A Alkenyl-benzoyl guanidine derivant MERCK PATENT GMBH (DE) 1997-06-04 — — CN disclosed
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