SCHEMBL8897249

SCHEMBL8897249

O=C(O)CCCc1ccc(CC2(NS(=O)(=O)c3ccc(Br)cc3)CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.41
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
CTDSP1 Q9GZU7 2/20 0.39
GRK2 P25098 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL8894954 0.89 TBXA2R (0.46) NPSR1ALDH1A1
SCHEMBL8895652 0.88 IDO1 (0.52) IDO1NPSR1ALDH1A1PLAAT3PLAAT5
SCHEMBL8895261 0.88 TBXA2R (0.45) NPSR1ALDH1A1PPARG
SCHEMBL8896379 0.88 TBXA2R (0.45) NPSR1ALDH1A1PPARG
SCHEMBL8894937 0.86 TBXA2R (0.45) NPSR1ALDH1A1HDAC1HDAC8
SCHEMBL8895594 0.85 TBXA2R (0.44) NPSR1ALDH1A1HDAC1HDAC8
SCHEMBL8895838 0.84 TBXA2R (0.47) NPSR1ALDH1A1EGFRERBB2
SCHEMBL8897438 0.82 NPSR1 (0.50) IDO1NPSR1ALDH1A1MAPTFFAR1
SCHEMBL8896248 0.81 NPSR1 (0.49) IDO1NPSR1ALDH1A1MAPTFFAR1
SCHEMBL9234700 0.78 TBXA2R (0.42) NPSR1ALDH1A1MAPT

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed