SCHEMBL19782763

SCHEMBL19782763

CC1(C)CC(Nc2ccc(Nc3ccc(N)cc3)cc2)CC(C)(C)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
MAPT P10636 3/20 0.74
LMNA P02545 3/20 0.74
ALOX12 P18054 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
RAD52 P43351 2/20 0.74
PKM P14618 1/20 0.74
ALOX15 P16050 1/20 0.74
GFER P55789 1/20 0.74
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NR4A1 P22736 1/20 0.40
KDM1A O60341 1/20 0.38
DDB1 Q16531 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
SCHEMBL20357747 0.95 ALDH1A1 (0.66) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL10780921 0.86 ALDH1A1 (0.77) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL19780825 0.85 ALDH1A1 (0.77) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL8738952 0.85 ALDH1A1 (1.00) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL9380274 0.78 KMT2A (0.87) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL19781258 0.77 MAPT (0.63) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL28464888 0.74 ALDH1A1 (0.60) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL9505550 0.74 KMT2A (0.52) ALDH1A1MAPTLMNAALOX12L3MBTL1
SCHEMBL1471429 0.71 KMT2A (0.56) ALDH1A1MAPTLMNAALOX12L3MBTL1
Hydrochloric Acid SCHEMBL1472992 0.70 KMT2A (0.55) ALDH1A1MAPTLMNAALOX12L3MBTL1

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
WO-2018013181-A1 SYNERGISTIC LUBRICATING OIL COMPOSITION CONTAINING MIXTURE OF ANTIOXIDANTS CHEVRON ORONITE COMPANY LLC (US) 2018-01-18 WO disclosed