SCHEMBL9119940

SCHEMBL9119940

CC(Cl)(Cl)CCc1ccccc1.O=S(=O)(O)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
BLM P54132 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC6A2 P23975 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
SSTR4 P31391 1/20 0.38
KEAP1 Q14145 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
SCHEMBL9119441 0.84 ALDH1A1 (0.42) ALDH1A1BLMMAPTKDM4ELMNA
SCHEMBL8905009 0.80 BLM (0.44) ALDH1A1BLMMAPTKDM4ELMNA
SCHEMBL16680275 0.78 BLM (0.46) ALDH1A1BLMMAPTKDM4ELMNA
SCHEMBL7297621 0.76 ESR1 (0.47) ALDH1A1LMNACYP3A4SLC6A2MMP13
SCHEMBL25476052 0.75 ALDH1A1 (0.43) ALDH1A1BLMMAPTKDM4ELMNA
SCHEMBL9120778 0.75 ALDH1A1 (0.43) ALDH1A1BLMMAPTKDM4ELMNA
SCHEMBL28408596 0.74 ALDH1A1 (0.44) ALDH1A1LMNASLC6A2
SCHEMBL29223826 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL12266021 0.74 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
Benzylacetone SCHEMBL9118138 0.73 ALDH1A1 (0.78) ALDH1A1BLMMAPTKDM4ELMNA

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-0512953-B1 Process for the preparation of benzene sulfonamides CIBA GEIGY AG (CH) 1995-06-07 EP disclosed
EP-0512953-A1 Process for the preparation of benzene sulfonamides CIBA-GEIGY AG (CH) 1992-11-11 EP disclosed