SCHEMBL8779807

SCHEMBL8779807

ClC(Cl)Sc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.37
TRPA1 O75762 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
HAO1 Q9UJM8 1/20 0.32
FBP1 P09467 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8779795 0.86 CYP2C9 (0.37) CYP2C9CYP2C19HSD17B10
SCHEMBL8667202 0.82 CA2 (0.39) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL8779780 0.78 NR1H2 (0.41) MEN1KMT2AMAOAMAOBMAPK1
SCHEMBL3896041 0.76 HSD17B10 (0.52) CYP2A6MEN1KMT2AMAOAMAOB
SCHEMBL14303762 0.74 CYP2A6 (0.42) CYP2A6MEN1KMT2AMAOAMAOB
SCHEMBL3901375 0.74 HPGD (0.43) MEN1KMT2ATRPA1SMN1; SMN2ALDH1A1
SCHEMBL1582216 0.74 MAOA (0.48) CYP2A6MEN1KMT2AMAOAMAOB
SCHEMBL9018796 0.74 NR1H2 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL8488661 0.74 IDO1 (0.39) CYP2C9CYP2C19HSD17B10
SCHEMBL28203714 0.73 MEN1 (0.44) MEN1KMT2AMAOATRPA1SMN1; SMN2

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
EP-0770599-A1 PROCESS FOR THE PREPARATION OF AROMATIC OR HETEROAROMATIC SULFONYL HALIDES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed