SCHEMBL9616016

SCHEMBL9616016

O=C(Cl)C(O)Sc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP7 Q93009 2/20 0.35
USP47 Q96K76 1/20 0.35
CASR P41180 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
LDHA P00338 1/20 0.33
ITGAL P20701 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9158164 0.86 TSHR (0.44) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL9661059 0.74 CA12 (0.45) MAPTALDH1A1NPSR1TDP1
SCHEMBL9616010 0.71 HPGD (0.42) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL21852053 0.71 CYP1A2 (0.45) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28131637 0.70 IDO1 (0.40) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL11091141 0.70 ALDH1A1 (0.41) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL27775696 0.69 ALDH1A1 (0.59) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28473331 0.68 MEN1 (0.50) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL28478487 0.68 POLB (0.47) TSHRMEN1KMT2AMAPTALDH1A1
SCHEMBL9812315 0.67 CYP1A2 (0.51) TSHRMEN1KMT2AMAPTUSP7

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
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