SCHEMBL1705433

SCHEMBL1705433

CCCCCCCCCCCCc1ccc(Nc2cccc3ccccc23)cc1.CCCCCCCCCc1ccc(-c2ccc3ccccc3c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CDC25B P30305 1/20 0.41
ATM Q13315 1/20 0.41
RAB9A P51151 2/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
P2RY1 P47900 1/20 0.38
HTR2A P28223 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
SPHK1 Q9NYA1 3/20 0.37
TLR8 Q9NR97 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL2382927 0.88 KDM4E (0.46) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL2384593 0.88 KDM4E (0.46) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL1705626 0.88 KDM4E (0.46) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL29382146 0.86 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL294932 0.86 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL1705432 0.86 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL110264 0.86 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL293780 0.86 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL28857667 0.81 HPGD (0.57) ALDH1A1HPGDHSD17B10TP53CYP3A4
SCHEMBL17616985 0.79 UNG (0.48) ALDH1A1HSD17B10TP53CYP3A4HTR2A

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-2078725-B1 PHOSPHORUS-MOLYBDENUM COMPOUND, METHOD FOR PRODUCING THE SAME, LUBRICANT ADDITIVE CONTAINING THE COMPOUND, AND LUBRICANT COMPOSITION ADEKA CORP (JP) 2012-04-18 EP disclosed