SCHEMBL6466028

SCHEMBL6466028

CCOc1ccc(S(=O)(=O)N(C(N)=S)c2ccc(Cc3ccc(N(C(N)=S)S(=O)(=O)c4ccc(OCC)cc4)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 8/20 0.46
TP53 P04637 5/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL8662172 0.87 TP53 (0.51) KMT2ALMNAMAPTTP53ALDH1A1
SCHEMBL8625094 0.83 LMNA (0.49) KMT2ALMNAMAPTTP53CNR2
SCHEMBL8620628 0.75 TP53 (0.55) KMT2ALMNAMAPTTP53ALDH1A1
SCHEMBL8837732 0.73 ALDH1A1 (0.39) KMT2ALMNACA12CA1CA2
SCHEMBL6470650 0.73 CA12 (0.50) KMT2ALMNAMAPTTP53CA12
SCHEMBL6465397 0.73 CA1 (0.52) KMT2ACA12CA1CA2CA7
SCHEMBL27750892 0.73 LMNA (0.69) KMT2ALMNAMAPTTP53CNR2
SCHEMBL6462883 0.71 PTGES (0.52) LMNA
SCHEMBL27679 0.70 LMNA (0.54) KMT2ALMNAMAPTTP53CNR2
SCHEMBL11880911 0.70 NQO1 (0.52) MAPTALDH1A1TSHRGAA

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 6 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-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