SCHEMBL893019

SCHEMBL893019

CC(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(NC(C)CO)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1.[NaH].[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.56
NPSR1 Q6W5P4 1/20 0.41
ENPP2 Q13822 1/20 0.41
IDH2 P48735 1/20 0.39
CA2 P00918 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CDK2 P24941 2/20 0.38
KDR P35968 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNH P51946 1/20 0.38
MEN1 O00255 1/20 0.38
GPR39 O43194 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL793178 0.99 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL5632031 0.99 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL30448563 0.99 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL893017 0.89 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL893015 0.89 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL29885454 0.89 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL11618474 0.87 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL16374878 0.87 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL1447494 0.87 ENPP2 (0.48) ENPP2IDH2CA2CDK2MEN1
SCHEMBL1169592 0.87 ENPP2 (0.48) ENPP2IDH2CA2CDK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865051-B1 Bleaching compositions PROCTER & GAMBLE (US) 2019-03-20 EP disclosed
US-8501448-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2013-08-06 US disclosed
US-20130086755-A1 Family 44 Xyloglucanases NOVOZYMES A/S (DK) 2013-04-11 US disclosed
EP-2285944-B1 LIQUID DETERGENT COMPOSITIONS NOVOZYMES AS (DK) 2013-03-13 EP disclosed
US-8354263-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2013-01-15 US disclosed
US-20120289450-A1 Cellulase Variants NOVOZYMES A/S (DK) 2012-11-15 US disclosed
US-20120079665-A1 FAMILY 44 XYLOGLUCANASES NOVOZYMES A/S (DK) 2012-04-05 US disclosed
US-8071351-B2 Family 44 xyloglucanases NOVOZYMES A/S (DK) 2011-12-06 US disclosed
US-20110250674-A1 CELLULASE VARIANTS NOVOZYMES A/S (DK) 2011-10-13 US disclosed
US-8017372-B2 Modified glucanase for use in textile and fabric treatment, detergents and papermaking NOVOZYMES A/S (DK) 2011-09-13 US disclosed
EP-0581752-B1 Built dye transfer inhibiting compositions PROCTER & GAMBLE (US) 1998-12-09 EP disclosed
EP-0581751-B1 Enzymatic detergent compositions inhibiting dye transfer PROCTER & GAMBLE (US) 1998-12-09 EP disclosed
US-5723428-A SURFACTANTS, ANIONIC SURFACTANTS AND DETERGENTS LEVER BROTHERS COMPANY (US) 1998-03-03 US disclosed
EP-0390287-B1 Particulate detergent additive product, preparation and use thereof in detergent compositions UNILEVER NV (NL) 1994-03-02 EP disclosed
EP-0057088-B2 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-09-02 EP disclosed
EP-0057088-B1 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1985-08-21 EP disclosed
US-4502986-A TEA AND WINE THE PROCTER & GAMBLE COMPANY (US) 1985-03-05 US disclosed
EP-0040038-B1 GRANULAR DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-02-20 EP disclosed
EP-0051986-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1982-05-19 EP disclosed
EP-0040038-A2 Granular detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1981-11-18 EP disclosed