SCHEMBL8910893

SCHEMBL8910893

COC(=O)CCc1ccc(N(CCO)C(=O)Nc2ccc(C#N)cc2)c(SC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
SIRT2 Q8IXJ6 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PSMB5 P28074 1/20 0.35
RORC P51449 1/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
IL18 Q14116 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL8913010 0.88 ALDH1A1 (0.36) CYP11B1CYP11B2SAE1UBA2SIRT2
SCHEMBL8912348 0.88 CYP11B1 (0.40) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8573514 0.87 CYP11B1 (0.41) CYP11B1CYP11B2SAE1UBA2SMN1; SMN2
SCHEMBL8912183 0.87 KMT2A (0.40) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8571774 0.87 CYP11B1 (0.39) CYP11B1CYP11B2SAE1UBA2MAPT
SCHEMBL8912130 0.83 CYP11B1 (0.43) CYP11B1CYP11B2SAE1UBA2SMN1; SMN2
SCHEMBL8911085 0.79 CYP11B1 (0.37) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL8912795 0.77 EPHX2 (0.41) CYP11B1CYP11B2SAE1UBA2SMN1; SMN2
SCHEMBL8911515 0.77 CYP11B1 (0.41) CYP11B1CYP11B2SAE1UBA2SMN1; SMN2
SCHEMBL8912796 0.76 MEN1 (0.40) CYP11B1CYP11B2SAE1UBA2SIRT2

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