SCHEMBL8557517

SCHEMBL8557517

N=C(N)NCCCCS(=O)(=O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.46
RECQL P46063 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA6 P23280 4/20 0.41
EPHX2 P34913 1/20 0.40
ALOX15 P16050 1/20 0.40
NLRP3 Q96P20 1/20 0.35
CA12 O43570 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA13 Q8N1Q1 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35
POLB P06746 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL8557126 0.96 PLCG1 (0.47) PLCG1RECQLCA1CA2CA4
SCHEMBL8559623 0.80 HDAC1 (0.50) CA1CA2ALOX15CA12CA9
SCHEMBL8558350 0.76 ATM (0.42) CA1CA2ALOX15CA12CA9
SCHEMBL2451404 0.74 PLCG1 (0.60) PLCG1RECQLCA1CA2CA4
SCHEMBL7394460 0.74 MMP9 (0.37) PLCG1RECQLCA1CA2CA4
SCHEMBL8557842 0.71 KMT2A (0.43) CA1CA2ALOX15CA5ACA9
SCHEMBL8559958 0.71 ATM (0.43) CA1CA2ALOX15CA12CA9
SCHEMBL15915533 0.71 PLCG1 (0.61) PLCG1RECQLCA1CA2CA4
SCHEMBL28023659 0.71 PLCG1 (0.60) PLCG1RECQLCA1CA2CA4
SCHEMBL7076389 0.70 ALOX15 (0.53) CA2EPHX2ALOX15MEN1CYP1A2

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
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed