SCHEMBL9754552

SCHEMBL9754552

O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.84
KMT2A Q03164 2/20 0.84
TBXA2R P21731 3/20 0.77
PRMT1 Q99873 2/20 0.70
ALDH1A1 P00352 5/20 0.69
TP53 P04637 1/20 0.69
GAA P10253 1/20 0.69
PPARG P37231 3/20 0.68
LSS P48449 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA12 O43570 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61

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
SCHEMBL9754483 0.93 MEN1 (0.75) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL9485046 0.93 MEN1 (0.75) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL9329691 0.93 MEN1 (0.75) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL9331678 0.92 MEN1 (0.73) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL28897034 0.92 ALDH1A1 (0.84) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL9126468 0.92 MEN1 (0.78) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL6974335 0.92 MEN1 (0.78) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL9754209 0.92 MEN1 (0.73) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL1368550 0.92 MEN1 (0.73) MEN1KMT2ATBXA2RPRMT1ALDH1A1
SCHEMBL10460235 0.92 MEN1 (0.73) MEN1KMT2ATBXA2RPRMT1ALDH1A1

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
WO-1991013868-A1 PHENYLTHIOALKYLCARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-19 WO disclosed