SCHEMBL3941835

SCHEMBL3941835

CN(CC(O)c1cccc(OCc2ccccc2)c1)C(=O)Oc1cnc(N(C)C)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL3942434 0.91 ALOX5 (0.41) ALOX5KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL3947763 0.90 ALOX5 (0.43) ALOX5KMT2ASMN1; SMN2MEN1LTB4R
SCHEMBL3942200 0.90 ALOX5 (0.43) ALOX5KMT2ASMN1; SMN2MEN1CYP2C9
SCHEMBL3946482 0.89 ALOX5 (0.39) ALOX5KMT2AHPGDMAPK1LMNA
SCHEMBL1383618 0.86 ALOX5 (0.47) ALOX5KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL3951537 0.85 CASR (0.46) ALOX5KMT2AHPGDMAPK1MEN1
SCHEMBL3947316 0.83 CASR (0.41) ALOX5KMT2ALMNAMEN1
SCHEMBL3944917 0.82 BACE1 (0.41) KMT2ASMN1; SMN2MAPK1HTTMEN1
SCHEMBL3951123 0.82 BACE1 (0.41) ALOX5KMT2AMEN1CYP1A2CYP3A4
SCHEMBL3942446 0.81 CASR (0.41) ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed