SCHEMBL9808079

SCHEMBL9808079

O=C(CCSc1ccc(O)c(Cl)c1)NCCCSc1ccc(O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TEAD1 P28347 1/20 0.43
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
TEAD2 Q15562 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL9808195 0.89 HTT (0.52) HPGDKDM4ETDP1CA2CA1
SCHEMBL9808044 0.87 TDP1 (0.51) KDM4ETDP1CA2CA1HTT
SCHEMBL9808307 0.81 HTT (0.53) HPGDKDM4ETDP1CA2CA1
SCHEMBL9808237 0.81 KDM4E (0.55) HPGDKDM4EMEN1KMT2AALDH1A1
SCHEMBL9808036 0.80 HPGD (0.62) HPGDKDM4ETEAD1YAP1TEAD4
SCHEMBL9750096 0.77 THRB (0.45) KDM4ETDP1CA2CA1MEN1
SCHEMBL9808286 0.76 HTT (0.56) HPGDKDM4ETDP1HTTTEAD1
SCHEMBL9808042 0.75 HPGD (0.56) HPGDKDM4ETDP1HTTTEAD1
SCHEMBL9808064 0.75 HPGD (0.53) HPGDKDM4ETEAD1YAP1TEAD4
SCHEMBL9808054 0.73 HTT (0.49) HPGDKDM4ETDP1HTTHSP90AA1

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