SCHEMBL4833637

SCHEMBL4833637

c1cncc(P([N]P(c2cccnc2)c2cccnc2)c2cccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP2A6 P11509 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
APP P05067 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL30319508 0.77 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL617000 0.77 ALDH1A1 (0.50) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL15652709 0.75 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL29143382 0.73
SCHEMBL12620100 0.73
SCHEMBL617213 0.71 CYP3A4 (0.57) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL4833644 0.71 CYP2A6 (0.44) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL7913161 0.71 CYP2A6 (0.44) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL25620250 0.71 CYP3A4 (0.57) ALDH1A1CYP2A6CYP1A2CYP3A4LMNA
SCHEMBL4840767 0.69 LMNA (0.40) ALDH1A1CYP1A2CYP3A4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 US disclosed