SCHEMBL10420296

SCHEMBL10420296

COC(C)N(C)c1ccc(N)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.47
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
S1PR1 P21453 1/20 0.36
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SKP2 Q13309 1/20 0.32
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL5084506 0.79 S100B (0.56) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL14611745 0.79 S100B (0.50) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL7733728 0.77 ALDH1A1 (0.36) ALDH1A1TSHRALOX15
SCHEMBL33872 0.73 S100B (0.61) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL29442599 0.73 S100B (0.61) S100BCYP3A4ALDH1A1TDP1TSHR
Sulfuric Acid SCHEMBL8171143 0.72 S100B (0.44) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL6075076 0.72 S100B (0.51) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL10876644 0.72 S100B (0.51) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL10955324 0.72 S100B (0.60) S100BCYP3A4ALDH1A1TDP1TSHR
SCHEMBL29740664 0.72 S100B (0.60) S100BCYP3A4ALDH1A1TDP1TSHR

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-4894321-A SILVER HALIDE EMULSIONS, IMAGES, MULTILAYER FUJI PHOTO FILM CO., LTD. (JP) 1990-01-16 US disclosed