SCHEMBL8910536

SCHEMBL8910536

COC(=O)CCc1ccc(N(CCOS(C)(=O)=O)C(=O)Nc2ccc(C#N)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.38
LIMK1 P53667 1/20 0.37
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL8910234 0.90 ALDH1A1 (0.41) MCHR1ALDH1A1KMT2AMAPTNR1H2
SCHEMBL9137878 0.88 MCHR1 (0.41) MCHR1LIMK1ALDH1A1KMT2ACACNA1G
SCHEMBL8574886 0.86 ALDH1A1 (0.41) MCHR1IDO1ALDH1A1KMT2AMAPT
SCHEMBL8911091 0.81 ALDH1A1 (0.40) IDO1ALDH1A1MAPTCACNA1HSMN1; SMN2
SCHEMBL8911497 0.81 PSMB5 (0.38) MCHR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL8577375 0.80 ALDH1A1 (0.37) MCHR1IDO1ALDH1A1KMT2AMAPT
SCHEMBL8911120 0.79 NR1H2 (0.35) MCHR1LIMK1ALDH1A1MAPTNR1H2
SCHEMBL8911295 0.78 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTNR1H2NR1H3
SCHEMBL8911137 0.78 GCGR (0.36) MCHR1ALDH1A1KMT2ANR1H2NR1H3
SCHEMBL8911516 0.77 CYP11B1 (0.38) KMT2AMEN1

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