SCHEMBL8913188

SCHEMBL8913188

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)cc2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
MCHR1 Q99705 1/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PSMB5 P28074 1/20 0.35
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.34
RORC P51449 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL8912796 0.91 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8570032 0.90 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8577375 0.90 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8913010 0.88 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8912183 0.88 KMT2A (0.40) PTGER1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8574886 0.86 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AGAASIRT2
SCHEMBL8911497 0.81 PSMB5 (0.38) ALDH1A1MAPTGAASIRT2MCHR1
SCHEMBL8911091 0.81 ALDH1A1 (0.40) ALDH1A1MAPTGAASIRT2CYP11B1
SCHEMBL8911137 0.80 GCGR (0.36) ALDH1A1KMT2AMCHR1CYP19A1CYP11B1
SCHEMBL9136606 0.78 RORC (0.34) ALDH1A1MAPTMEN1KMT2ACYP11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
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