SCHEMBL11334682

SCHEMBL11334682

CCOc1cc(N(CC)CC)ccc1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.43
CYP11B2 P19099 6/20 0.43
S1PR1 P21453 7/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CSNK1D P48730 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP19A1 P11511 3/20 0.40
HSD17B10 Q99714 2/20 0.39
S1PR3 Q99500 2/20 0.39

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
SCHEMBL30961242 0.83 ALDH1A1 (0.39) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL10997460 0.78 S100B (0.50) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11325858 0.78 CSNK1D (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL29114755 0.77 CBFB (0.43) S1PR1MEN1KMT2AALDH1A1MAPT
SCHEMBL11332105 0.77 ADORA1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8622378 0.76 APP (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17626033 0.75 L3MBTL1 (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10972792 0.75 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19626595 0.74 HTT (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2960690 0.73 ALDH1A1 (0.55) CYP11B1CYP11B2S1PR1MEN1KMT2A

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
US-4262078-A SUBLIMABLE COLOR-FORMING PYRIDINE DERIVATIVE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1981-04-14 US disclosed