SCHEMBL8911295

SCHEMBL8911295

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2cccc(C#N)c2SC)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
NR3C1 P04150 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2GAATDP1
SCHEMBL8911120 0.79 NR1H2 (0.35) ALDH1A1NR1H2NR1H3MAPT
SCHEMBL8910234 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL8911137 0.78 GCGR (0.36) ALDH1A1KMT2ANR1H2NR1H3HDAC1
SCHEMBL8910536 0.78 MCHR1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL8911497 0.76 PSMB5 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL8911516 0.76 CYP11B1 (0.38) KMT2AMEN1TSHR
SCHEMBL8911091 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL8912989 0.74 CYP11B1 (0.40) TSHR
SCHEMBL8913010 0.70 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A

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