SCHEMBL9808307

SCHEMBL9808307

O=C(CSc1ccc(O)c(Cl)c1)NCCSc1ccc(O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
TEAD1 P28347 1/20 0.52
YAP1 P46937 1/20 0.52
TEAD4 Q15561 1/20 0.52
TEAD2 Q15562 1/20 0.52
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.48
CA2 P00918 4/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CA1 P00915 3/20 0.43
HPGD P15428 2/20 0.43

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
SCHEMBL9808195 0.92 HTT (0.52) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808177 0.87 HTT (0.59) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808060 0.83 ALDH1A1 (0.53) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808079 0.81 HPGD (0.51) HTTALDH1A1TEAD1YAP1TEAD4
SCHEMBL9808182 0.80 MAPT (0.53) HTTALDH1A1LMNAMAPTGAA
SCHEMBL9808246 0.79 ALDH1A1 (0.66) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808286 0.78 HTT (0.56) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808044 0.78 TDP1 (0.51) HTTTEAD1YAP1TEAD4TEAD2
SCHEMBL9808214 0.78 HTT (0.48) HTTALDH1A1LMNATEAD1YAP1
SCHEMBL9808292 0.75 BCL2L11 (0.38) HTTALDH1A1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed