SCHEMBL9822669

SCHEMBL9822669

O=C1C2=CC=C1C=C2.O=S(=O)(Cl)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
PGR P06401 6/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1B1 P15121 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
NFE2L2 Q16236 2/20 0.38
PKM P14618 1/20 0.38
FBP1 P09467 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL16000 0.85 ALDH1A1 (0.54) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL29422524 0.85 ALDH1A1 (0.54) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL5564527 0.78 ALDH1A1 (0.52) MMP2PGRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7571169 0.78 FBP1 (0.47) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL9822643 0.78 ALDH1A1 (0.49) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL56599 0.72 ALDH1A1 (0.65) PGRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2199161 0.71 AKR1B1 (0.56) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL31435391 0.71 AKR1B1 (0.56) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL294450 0.69 PGR (0.53) MMP2PGRALDH1A1MEN1KMT2A
SCHEMBL294451 0.69 ALDH1A1 (0.59) MMP2PGRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238401-B1 SULFON AMIDES DERIVED FROM DIARYL METHANES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATION CONTAINING THEM SANOFI (FR) 1991-08-14 EP claimed