SCHEMBL9616010

SCHEMBL9616010

O=C(Cl)C(O)Sc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 5/20 0.40
TP53 P04637 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TERT O14746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL7828576 0.86 ALDH1A1 (0.44) HPGDHTTALDH1A1TP53TDP1
Hydrochloric Acid SCHEMBL11054574 0.84 ALDH1A1 (0.43) HPGDHTTALDH1A1TP53TDP1
SCHEMBL9162991 0.83 HPGD (0.40) HPGDHTTALDH1A1TP53TDP1
SCHEMBL9659021 0.73 ABL1 (0.48) HPGDHTTALDH1A1MEN1KMT2A
SCHEMBL8779725 0.72 TP53 (0.44) HPGDHTTALDH1A1TP53TDP1
SCHEMBL9159642 0.71 ITGB2 (0.45) ALDH1A1TP53TDP1MEN1KMT2A
SCHEMBL9616016 0.71 TSHR (0.40) ALDH1A1TDP1MEN1KMT2AERCC5
SCHEMBL11519814 0.70 POLB (0.51) HPGDHTTALDH1A1TP53TDP1
SCHEMBL6542305 0.69 TDP1 (0.57) HPGDHTTALDH1A1TP53TDP1
SCHEMBL10779011 0.69 TSHR (0.50) HTTTP53HSD17B10CYP3A4CYP2C9

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
EP-0134478-B1 PROCESS FOR THE PREPARATION OF A PIGMENT BASED ON 4,4',7,7'-TETRACHLOROTHIO-INDIGO HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-04 EP claimed
US-4617403-A Process for preparing a pigment based on 4,4',7,7'-tetrachlorothioindigo HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-14 US claimed
JP-4183751-A None JP disclosed
JP-H04183751-A PRODUCTION OF 4,4',7,7'-TETRACHLOROTHIOINDIGO SUMITOMO SEIKA CHEM CO LTD 1992-06-30 JP disclosed
US-4617403-A Process for preparing a pigment based on 4,4',7,7'-tetrachlorothioindigo HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-14 US disclosed
US-4617403-A Process for preparing a pigment based on 4,4',7,7'-tetrachlorothioindigo HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-14 US disclosed