SCHEMBL6422263

SCHEMBL6422263

O=C1NC(=O)c2c(-c3ccccc3)[nH]c(-c3ccccc3)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PLA2G10 O15496 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ADK P55263 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
GSK3B P49841 3/20 0.46
MAOA P21397 1/20 0.45
SERPINE1 P05121 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
PRKD3 O94806 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
PRKCG P05129 1/20 0.41

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
SCHEMBL7766596 0.78 MAPT (0.55) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL3278733 0.78 ESR1 (0.62) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL27842932 0.77 KDM4E (0.44) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL30753519 0.71 CHEK1 (0.52) ALDH1A1GAAADKGSK3BMAPT
SCHEMBL8442953 0.70 ALDH1A1 (1.00) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL114611 0.70 PTGS2 (0.67) GSK3BPTGS2
SCHEMBL2004652 0.70 KDM4E (0.71) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL135332 0.70 GSK3B (0.56) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL1572915 0.70 ALDH1A1 (0.68) KDM4EPLA2G10ALDH1A1GAAHPGD
SCHEMBL9474080 0.69 PTGS2 (0.64) GSK3BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890977-B2 Warp-free pigment compositions comprising diaryldiketopyrrolo[3,4-c]pyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-10 US disclosed
EP-0952183-B1 Warp free pigment compositions containing diaryl-diketopyrrolo 3,4c pyrroles CIBA SC HOLDING AG (CH) 2005-02-23 EP disclosed
US-20040092627-A1 Warp-free pigment compositons comprising diaryldiketopyrrolo[3,4-c]pyrroles FLANDRIN FRANCK REY (FR) 2004-05-13 US disclosed
US-6409956-B1 PARTIALLY CRYSTALLINE PLASTICS CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-25 US disclosed
EP-0952183-A1 Warp free pigment compositions containing diaryl-diketopyrrolo 3,4c pyrroles Ciba SC Holding AG (CH) 1999-10-27 EP disclosed