SCHEMBL7841406

SCHEMBL7841406

COC(OC)c1ccc(C)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ELANE P08246 1/20 0.33
HPGDS O60760 1/20 0.32
P2RX7 Q99572 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 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
SCHEMBL19490544 0.79 ADRA2A (0.36) MEN1LMNAKMT2AADRA2AADRA2B
SCHEMBL15482996 0.77 MEN1 (0.38) MEN1LMNAKMT2AADRA2AADRA2B
SCHEMBL9156006 0.77 NNMT (0.43) MEN1KMT2ACYP2A6HRH1
SCHEMBL6881691 0.77
SCHEMBL1321806 0.77 CYP26A1 (0.33) CHRNB2CHRNA4
SCHEMBL2644227 0.77 NOS3 (0.45) HDAC1HDAC6PDE10A
SCHEMBL12199391 0.75 CYP2D6 (0.33) MEN1LMNAKMT2AADRA2AADRA2B
SCHEMBL10639265 0.75 MEN1 (0.35) MEN1LMNAKMT2ACYP2D6SLC6A2
SCHEMBL12199222 0.75 CYP2D6 (0.33) MEN1LMNAKMT2AADRA2AADRA2B
SCHEMBL12283943 0.75 CYP2D6 (0.33) MEN1LMNAKMT2AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579733-B1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF UPJOHN CO (US) 2001-06-20 EP disclosed
US-5441971-A Antidiabetic agents THE UPJOHN COMPANY (US) 1995-08-15 US disclosed
EP-0579733-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF PHARMACIA & UPJOHN COMPANY (US) 1994-01-26 EP disclosed
WO-1992018501-A1 THIAZOLIDINEDIONE DERIVATIVES, PRODUCTION AND USE THEREOF THE UPJOHN COMPANY (US) 1992-10-29 WO disclosed