SCHEMBL8016341

SCHEMBL8016341

CCOC(=O)CCC(C)NS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(C#N)cc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
S1PR1 P21453 4/20 0.41
F2 P00734 2/20 0.40
RORC P51449 1/20 0.40
ACSL1 P33121 2/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
BCHE P06276 1/20 0.37
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
BRPF1 P55201 1/20 0.36

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
SCHEMBL8028106 0.95 GAA (0.40) GAAS1PR1F2RORCACSL1
SCHEMBL8015890 0.95 GAA (0.40) GAAS1PR1F2RORCACSL1
SCHEMBL8015915 0.94 GAA (0.39) GAAS1PR1F2RORCACSL1
SCHEMBL8030541 0.89 GAA (0.39) GAAS1PR1F2RORCACSL1
SCHEMBL8016344 0.81 GAA (0.53) GAAACSL1TSHRNPSR1RXFP1
SCHEMBL8030569 0.80 F2 (0.43) GAAF2RORCACSL1TSHR
SCHEMBL8030543 0.80 GAA (0.46) GAAACSL1TSHRNPSR1RXFP1
SCHEMBL8028112 0.80 GAA (0.52) GAAACSL1TSHRNPSR1RXFP1
SCHEMBL8015892 0.79 GAA (0.51) GAATSHRNPSR1RXFP1CNR2
SCHEMBL8026757 0.79 CNR2 (0.45) RORCACSL1CNR2ALDH1A1BCHE

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed