SCHEMBL6466650

SCHEMBL6466650

NC(=S)N(c1ccc(Cc2ccc(N(C(N)=S)S(=O)(=O)Cc3ccccc3)cc2)cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
CNR2 P34972 2/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
F2 P00734 2/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5A P35218 1/20 0.40
GRM2 Q14416 1/20 0.39
USP2 O75604 1/20 0.38
HPGD P15428 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
SCHEMBL27586781 0.91 HSP90AA1 (0.57) HSP90AA1CNR2PRSS1PRSS2PRSS3
SCHEMBL6463099 0.87 HSP90AA1 (0.49) HSP90AA1CNR2PLA2G10PLA2G2APRSS1
SCHEMBL27521558 0.76 HSP90AA1 (0.59) HSP90AA1CNR2PRSS1PRSS2PRSS3
SCHEMBL8837732 0.76 ALDH1A1 (0.39) PLA2G10PLA2G2ACA1CA2CA9
SCHEMBL6466087 0.73 KMT2A (0.41) PTPN1RORCMMP2MMP9ALDH1A1
SCHEMBL6469558 0.73 KDM4E (0.40) HSP90AA1CA1CA2CA9CA12
SCHEMBL6467690 0.72 KMT2A (0.51) CNR2PLA2G10PLA2G2AF2CA1
SCHEMBL8614123 0.71 ALDH1A1 (0.73) PLA2G10PLA2G2APRSS1PRSS2PRSS3
SCHEMBL6466488 0.70 SAE1 (0.44) F2CA1CA2CA9CA12
SCHEMBL27586728 0.70 ALDH1A1 (0.50) HSP90AA1F2HPGDMMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050255998-A1 Mixture of colour developers CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed
US-20050106491-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-05-19 US disclosed
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
EP-1480836-A1 MIXTURE OF COLOUR DEVELOPERS Ciba SC Holding AG (CH) 2004-12-01 EP disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
US-5612280-A AROMATIC SULFONYLUREA AND SULFONYLTHIOUREA DERIVATIVES AS COLOR DEVELOPERS; COLORFASTNESS, STORAGE STABILITY, WHITENESS NEW OJI PAPER CO., LTD. (JP) 1997-03-18 US disclosed