SCHEMBL7447940

SCHEMBL7447940

COC(=O)C(OS(C)(=O)=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
HPGD P15428 1/20 0.38
NHERF1 O14745 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8997416 0.83 CYP1A2 (0.49) CYP1A2KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL7437148 0.83 CA1 (0.46) KMT2ASMN1; SMN2
SCHEMBL5918040 0.83 L3MBTL1 (0.46) L3MBTL1
SCHEMBL7434531 0.83 KMT2A (0.45) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL2488220 0.82 KMT2A (0.58) KMT2AALDH1A1L3MBTL1
SCHEMBL2485143 0.82 KMT2A (0.58) KMT2AALDH1A1L3MBTL1
SCHEMBL6621061 0.81 ENPP3 (0.41) KMT2AALDH1A1
SCHEMBL20943223 0.77 CYP1A2 (0.48) CYP1A2KMT2ATDP1ALDH1A1HPGD
SCHEMBL999785 0.76 ALDH1A1 (0.56) CYP1A2KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL11596920 0.76 CYP1A2 (0.52) CYP1A2KMT2AALDH1A1HPGDSMN1; SMN2

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-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed