SCHEMBL11085486

SCHEMBL11085486

COc1cc(C)c([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11694122 0.87 LMNA (0.46) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL8901567 0.86 PKM (0.51) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL9247558 0.84 LMNA (0.53) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL30837492 0.84 PDGFRB (0.55) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL12108924 0.84 PDGFRB (0.55) LMNAPDGFRBFGFR1PDGFRAFLT1
SCHEMBL28892668 0.83 LMNA (0.43) LMNAMAPTGAAHTTALDH1A1
SCHEMBL11404100 0.82 TSHR (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12937577 0.81 LMNA (0.50) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL11721435 0.81 LMNA (0.53) LMNAMAPTGAAHTTALDH1A1
SCHEMBL3294994 0.79 ALDH1A1 (0.59) LMNAMAPTHTTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431663-A ANTIULCER AND NEUROLEPTIC AGENTS; ANTIEMETICS SHIONOGI & CO., LTD. (JP) 1984-02-14 US disclosed
US-4351770-A Preparation of N(2-pyrrolidinylmethyl)2-methoxy-5-benzenesulfonamidobenzamides SHIONOGI & CO., LTD. (JP) 1982-09-28 US disclosed
US-4350635-A ANTIEMETICS, NEUROLEPTIC AGENTS SHIONOGI & CO., LTD. (JP) 1982-09-21 US disclosed
US-4330472-A Meta-sulfonamido-benzamide derivatives SHIONOGI & CO., LTD. (JP) 1982-05-18 US disclosed
US-4328155-A ANTIEMETIC OR PSYCHOTROPIC AGENT SHIONOGI & CO., LTD. (JP) 1982-05-04 US disclosed
US-4328344-A ANTIEMETIC SHIONOGI & CO., LTD. (JP) 1982-05-04 US disclosed