SCHEMBL6470485

SCHEMBL6470485

COc1ccc(S(=O)(=O)NC(=O)NCCN(CCNC(=O)NS(=O)(=O)c2ccc(OC)cc2)CCNC(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.51
NFKB1 P19838 1/20 0.51
HTR2A P28223 1/20 0.51
CYP2C19 P33261 1/20 0.51
ADRA1A P35348 1/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 5/20 0.50
OPRK1 P41145 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50

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
SCHEMBL6467327 0.90 ALDH1A1 (0.57) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL6470502 0.88 OPRK1 (0.42) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL6468804 0.87 ALDH1A1 (0.61) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL6462708 0.84 FBP1 (0.60) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL6472345 0.84 ALDH1A1 (0.69) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL21667753 0.82 ALDH1A1 (0.57) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL6465704 0.77 MMP2 (0.61) ALDH1A1EGFRCA1CA2MMP1
SCHEMBL19629814 0.77 MMP2 (0.61) ALDH1A1EGFRCA1CA2MMP1
SCHEMBL8627685 0.77 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2EGFRPKM
SCHEMBL6464484 0.77 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2EGFRCA1CA2

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 9 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
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-2003074284-A1 MIXTURE OF COLOUR DEVELOPERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
EP-0792755-B1 Thermosensitive recording material OJI PAPER CO (JP) 1998-11-11 EP disclosed
EP-0792755-A1 Thermosensitive recording material OJI PAPER COMPANY LIMITED (JP) 1997-09-03 EP 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
EP-0604832-A2 Thermosensitive recording material NEW OJI PAPER CO., LTD. (JP) 1994-07-06 EP disclosed