SCHEMBL9136606

SCHEMBL9136606

COC(=O)CCc1csc(C)c1N(CCOS(C)(=O)=O)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.34
HTT P42858 1/20 0.33
POLB P06746 3/20 0.33
F2R P25116 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
IL18 Q14116 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PSMB5 P28074 1/20 0.31

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
SCHEMBL8574886 0.81 ALDH1A1 (0.41) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8912796 0.79 MEN1 (0.40) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8913188 0.78 PTGER1 (0.37) RORCCYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL8911497 0.77 PSMB5 (0.38) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8570032 0.76 ALDH1A1 (0.38) RORCHTTPOLBCYP11B1CYP11B2
SCHEMBL8577375 0.76 ALDH1A1 (0.37) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8911091 0.76 ALDH1A1 (0.40) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8913010 0.75 ALDH1A1 (0.36) RORCPOLBCYP11B1CYP11B2ALDH1A1
SCHEMBL8576519 0.74 PSMB5 (0.42) RORCPOLBLMNAMAPTMEN1
SCHEMBL8911184 0.74 RORC (0.40) RORCPOLBLMNAMAPTMEN1

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-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed