SCHEMBL3513675

SCHEMBL3513675

Cc1cc(Cc2ccccc2Cc2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.52
CYP3A4 P08684 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21970560 0.94 SKP2 (0.50) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL10799437 0.92 SKP2 (0.49) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL20084226 0.89 SKP2 (0.46) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL31079561 0.85 SKP2 (0.61) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL237201 0.85 SKP2 (0.61) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL10535695 0.84 SKP2 (0.52) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL20759358 0.83 SKP2 (0.56) SKP2CYP3A4TDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL8644397 0.83 SKP2 (0.59) SKP2CYP3A4TDP1ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL22344976 0.83 SKP2 (0.59) SKP2CYP3A4TDP1ALDH1A1TSHR
SCHEMBL3482071 0.83 SKP2 (0.59) SKP2CYP3A4TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420764-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2013-04-16 US disclosed
US-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20120178894-A1 COMPOUND HAVING SILSESQUIOXANE SKELETON AND ITS POLYMER INAGAKI JYUN-ICHI (JP) 2012-07-12 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed