SCHEMBL7400490

SCHEMBL7400490

Cc1ccc(S(=O)(=O)NCCc2ccc(C(=O)CBr)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
AKR1C3 P42330 1/20 0.57
GSK3B P49841 1/20 0.55
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
TBXA2R P21731 1/20 0.53
TBXAS1 P24557 1/20 0.53
USP2 O75604 1/20 0.52
PPARG P37231 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7396831 0.86 LMNA (0.63) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL7394036 0.85 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9660574 0.85 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL17974011 0.84 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL9718385 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL10463166 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL29019309 0.80 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ALMNAAKR1C3
SCHEMBL5925404 0.80 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL11104856 0.80 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL7406463 0.78 HDAC3 (0.69) ALDH1A1MEN1KMT2ALMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed