SCHEMBL5599092

SCHEMBL5599092

CN(C)C(Cl)COc1cccc(Cc2ccnn2C)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ICMT O60725 2/20 0.34
HIF1A Q16665 1/20 0.33
ENPP1 P22413 1/20 0.33
HTR1B P28222 1/20 0.33
DHFR P00374 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTB4R Q15722 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.31
IDH1 O75874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5599372 0.85 CYP1A2 (0.35) MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5601238 0.68 POLB (0.39) KDM4EDHFRMEN1KMT2APOLB
SCHEMBL7757122 0.67 KDM5A (0.43) KDM4EKMT2ALTB4RLMNAHPGD
SCHEMBL27539141 0.64 KDM4C (0.52) HIF1AMEN1KMT2APOLBSMN1; SMN2
SCHEMBL28220016 0.64 KCNH2 (0.40) ALDH1A1
SCHEMBL7755878 0.64 LTA4H (0.56)
SCHEMBL21000906 0.62 LTA4H (0.47) KDM4ELMNAHPGDPOLBIDH1
SCHEMBL9121963 0.59 TSHR (0.48) KDM4EHIF1AMEN1KMT2ALMNA
SCHEMBL20817546 0.59 ICMT (0.58) ICMTLMNASMN1; SMN2
SCHEMBL7755873 0.59 MAOA (0.40) KMT2AIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP claimed
EP-1746986-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
WO-2005097099-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A CARBINOL COMBINED TO AT LEAST AN NSAID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO claimed
EP-1103243-B1 UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P ESTEVE LABOR DR (ES) 2004-01-07 EP claimed
EP-1755678-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-02-28 EP disclosed
WO-2005097192-A2 ACTIVE SUBSTANCE COMBINATION OF A CARBINOL COMPOUND AND AN OPIOID LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2005-10-20 WO disclosed