SCHEMBL8670731

SCHEMBL8670731

COc1ccc(CSc2cccnc2C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MAOA P21397 1/20 0.51
TP53 P04637 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 1/20 0.43
APP P05067 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 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
SCHEMBL17010338 0.83 HSD17B10 (0.51) MAOBMAOATP53MEN1KMT2A
SCHEMBL30023811 0.83 HSD17B10 (0.51) MAOBMAOATP53MEN1KMT2A
SCHEMBL15413923 0.79 TP53 (0.52) MAOBMAOATP53MEN1KMT2A
SCHEMBL29661834 0.76 TP53 (0.49) TP53MEN1KMT2AALDH1A1TDP1
SCHEMBL29620944 0.75 NPC1 (0.63) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2010909 0.75 FFAR1 (0.50) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7365422 0.75 HPGD (0.40) MEN1KMT2AALDH1A1NPSR1GAA
SCHEMBL4058607 0.74 MAPT (0.47) TP53MEN1KMT2AALDH1A1TDP1
SCHEMBL2014297 0.74 L3MBTL1 (0.58) TP53MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL15616677 0.74 ALDH1A1 (0.51) TP53MEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 US disclosed
US-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 US disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 US disclosed
EP-0754184-A1 CEPHALOSPORIN ANTIBIOTICS Microcide Pharmaceuticals, Inc. (US) 1997-01-22 EP disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
WO-1996038450-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1996-12-05 WO disclosed
WO-1995026966-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
US-3963733-A 3-(P-methoxybenzylthio)2-non-oxocarbonylic pyridines SMITHKLINE CORPORATION (US) 1976-06-15 US disclosed