SCHEMBL1287271

SCHEMBL1287271

O=S(=O)(NCCCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 1.00
TP53 P04637 1/20 1.00
PRMT1 Q99873 3/20 0.70
TMEM97 Q5BJF2 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
TBXA2R P21731 3/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TAAR1 Q96RJ0 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TBXAS1 P24557 1/20 0.58

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
SCHEMBL1287281 0.90 PRMT1 (0.83) ALDH1A1GAATP53PRMT1TBXA2R
SCHEMBL407477 0.89 ALDH1A1 (1.00) ALDH1A1GAATP53PRMT1TBXA2R
SCHEMBL17372561 0.88 ALDH1A1 (0.79) ALDH1A1GAATP53PRMT1TMEM97
SCHEMBL13889021 0.86 ALDH1A1 (0.81) ALDH1A1GAATP53PRMT1TAAR1
SCHEMBL10453016 0.85 ALDH1A1 (0.74) ALDH1A1GAATP53PRMT1TMEM97
SCHEMBL1287459 0.85 ALDH1A1 (0.74) ALDH1A1GAATP53TBXA2RMEN1
SCHEMBL1287382 0.84 TAAR1 (0.82) ALDH1A1GAATP53PRMT1MEN1
SCHEMBL3913371 0.84 ALDH1A1 (0.79) ALDH1A1GAATP53PRMT1TAAR1
SCHEMBL28808214 0.84 ALDH1A1 (0.79) ALDH1A1GAATP53MEN1KMT2A
SCHEMBL10460529 0.84 ALDH1A1 (0.72) ALDH1A1GAATP53TBXA2RMEN1

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-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed