SCHEMBL14948313

SCHEMBL14948313

CCCCCC[N+](CCCCCC)(CCCCCC)Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MMP2 P08253 1/20 0.43
MC4R P32245 1/20 0.43
RAD52 P43351 1/20 0.43
DNM1 Q05193 3/20 0.42
HTT P42858 3/20 0.42
KCNH2 Q12809 3/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC22A1 O15245 2/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 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
SCHEMBL8664739 0.84 SLC22A1 (0.44) PSMD14HSP90AA1MMP2MC4RRAD52
Hydrochloric Acid SCHEMBL8959268 0.83 SLC22A1 (0.42) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL8671957 0.82 SLC22A1 (0.56) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL8671617 0.82 SLC22A1 (0.56) PSMD14HSP90AA1MMP2MC4RRAD52
SCHEMBL14948315 0.79 ALDH1A1 (0.38) HTTTSHRLMNACYP2C19ALDH1A1
SCHEMBL23268087 0.79 SLC22A1 (0.52) PSMD14HSP90AA1MMP2MC4RRAD52
Hexane SCHEMBL10767821 0.78 ALDH1A1 (0.48) HTTKCNH2TSHRCYP2C19TP53
SCHEMBL12593375 0.78 ESR1 (0.55) KCNH2TSHRHIF1ALMNACYP2D6
SCHEMBL12593380 0.78 ESR1 (0.55) KCNH2TSHRHIF1ALMNACYP2D6
SCHEMBL14063935 0.78 ESR1 (0.55) KCNH2TSHRHIF1ALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9184388-B2 Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-10 US disclosed
US-20130119369-A1 LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-16 US disclosed