SCHEMBL534221

SCHEMBL534221

Cc1cc(NCCO)nc(NCCO)c1C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.69
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
CCNA2 P20248 2/20 0.48
CDK2 P24941 2/20 0.48
CCNA1 P78396 2/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 5/20 0.45
CYP2D6 P10635 3/20 0.45
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
RAB29 O14966 1/20 0.43
FYN P06241 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
SCHEMBL10119067 0.91 AURKA (0.64) AURKAKDM4EALDH1A1HPGDKMT2A
SCHEMBL11832422 0.91 AURKA (0.60) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14004280 0.90 AURKA (0.58) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14004279 0.90 AURKA (0.58) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14541551 0.90 AURKA (0.58) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14004281 0.88 AURKA (0.56) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14004278 0.88 AURKA (0.56) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL11201470 0.86 AURKA (0.55) AURKAKDM4EALDH1A1HPGDHTT
SCHEMBL14004561 0.86 AURKA (0.55) AURKAKDM4EALDH1A1HPGDCCNA2
SCHEMBL14004284 0.85 AURKA (0.53) AURKAKDM4EALDH1A1HPGDCCNA2

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-9487611-B2 Particles for electrophoretic displays MERCK PATENT GMBH (DE) 2016-11-08 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130208344-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
EP-2601268-A1 PARTICLES FOR ELECTROPHORETIC DISPLAYS Merck Patent GmbH (DE) 2013-06-12 EP disclosed
EP-2418256-B1 Acid dyes CLARIANT FINANCE BV LTD (VG) 2013-03-27 EP disclosed
EP-0076782-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-04-13 EP disclosed
EP-0074928-A2 Reactive dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1983-03-23 EP disclosed
US-4325869-A CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS CIBA-GEIGY CORPORATION (US) 1982-04-20 US disclosed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 US disclosed
US-4203894-A FOR NYLON AND WOOL BASF AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4134887-A FIBER-REACTIVE HOECHST AKTIENGESELLSCHAFT (DE) 1979-01-16 US disclosed
US-4102880-A COLORFASTNESS, BRILLIANT GREENISH-YELLOW CIBA-GEIGY CORPORATION (US) 1978-07-25 US disclosed
US-4066638-A WATER-SOLUBLE FIBER REACTIVE PHENYL-AZO-NAPHTHYL DYESTUFFS CONTAINING TWO SULFO GROUPS IN THE PHENYL MOIETY HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed
US-3998802-A POLYAMIDES, CELLULOSE ESTERS, POLYESTERS, POLYACRYLONITRILES BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 US disclosed
US-3998805-A MONOAZO DYES; POLYESTERS; YELLOW, RED, OR ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1976-12-21 US disclosed