SCHEMBL3932090

SCHEMBL3932090

CC(=O)Oc1ccc(CC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
PKM P14618 2/20 0.47
ELANE P08246 1/20 0.46
HSD17B10 Q99714 1/20 0.44
CUL4A Q13619 1/20 0.44
ESR1 P03372 1/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PTGS2 P35354 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
SCHEMBL10899629 0.95 HSD17B10 (0.53) KMT2ALMNAMAPTPOLBPKM
SCHEMBL7773803 0.83 LMNA (0.53) KMT2ALMNAMAPTPOLBPKM
SCHEMBL4902896 0.83 ELANE (0.50) KMT2ALMNAMAPTPOLBPKM
SCHEMBL28267569 0.81 KMT2A (0.52) KMT2ALMNAMAPTPKMELANE
SCHEMBL10402897 0.81 LMNA (0.52) KMT2ALMNAMAPTPOLBPKM
SCHEMBL5169132 0.79 LMNA (0.48) KMT2ALMNAMAPTPOLBPKM
SCHEMBL10897448 0.78 KMT2A (0.50) KMT2ALMNAMAPTPKMELANE
SCHEMBL9081470 0.78 LMNA (0.61) KMT2ALMNAMAPTPOLBPKM
SCHEMBL777803 0.78 ELANE (0.62) KMT2ALMNAMAPTPOLBPKM
SCHEMBL269329 0.77 LMNA (0.80) KMT2ALMNAMAPTPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974730-A Method for synthesizing organic sulfate by persulfate 湖南大学 2023-04-18 CN disclosed
CN-107011213-B Multi-channel luminous fluorescent probe and preparation method and application thereof 复旦大学 2020-05-12 CN disclosed
EP-2035366-A1 PROCESS FOR PREPARATION OF 0-DESMETHYLVENLAFAXINE AND ITS ANALOGUES KRKA (SI) 2009-03-18 EP disclosed
WO-2007147564-A1 PROCESS FOR PREPARATION OF 0-DESMETHYLVENLAFAXINE AND ITS ANALOGUES KRKA (SI) 2007-12-27 WO disclosed
US-5892048-A INSECTICIDES, MITICIDES NIPPON SODA CO., LTD. (JP) 1999-04-06 US disclosed
EP-0717039-A1 NOVEL TRIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 1996-06-19 EP disclosed
US-4335119-A Quick-acting diuretic compositions ROHM, PHARMA GMBH (DE) 1982-06-15 US disclosed
US-4252809-A DIURETICS ROHM PHARMA GMBH (DE) 1981-02-24 US disclosed
US-3984559-A Compositions comprising tetramic acid analogs of pulvinic acid and methods of combating arthritis SMITHKLINE CORPORATION (US) 1976-10-05 US disclosed
US-3947580-A Anti-arthritic compositions comprising N-heterocyclic pulvinic acid amides and methods of producing anti-arthritic activity SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3931207-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-01-06 US disclosed