Ethylbenzene

Ethylbenzene

SCHEMBL28785055

CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.CCc1ccccc1

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.66
▸ GAA P10253 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ CYP1A2 P05177 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ TP53 P04637 3/20 0.61
▸ RXFP1 Q9HBX9 3/20 0.61
▸ ADORA2B P29275 2/20 0.61
▸ TSHR P16473 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.60
▸ ALOX15 P16050 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59

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
SCHEMBL10113885 0.90 KMT2A (0.71) LMNAGAAALDH1A1MAPK1CYP1A2
Fluorobenzene SCHEMBL27793554 0.89 MAPK1 (0.63) LMNAGAAALDH1A1MAPK1CYP1A2
O-Xylene SCHEMBL27814994 0.89 CYP1A2 (0.74) LMNAGAAALDH1A1MAPK1CYP1A2
SCHEMBL20161764 0.86 CYP1A2 (0.71) LMNAGAAALDH1A1MAPK1CYP1A2
SCHEMBL18166736 0.85 CYP1A2 (0.72) LMNAGAAALDH1A1MAPK1CYP1A2
SCHEMBL18166761 0.82 MAPK1 (0.74) LMNAGAAALDH1A1MAPK1CYP1A2
SCHEMBL10114344 0.82 LMNA (0.61) LMNAGAAALDH1A1MAPK1CYP1A2
SCHEMBL5462777 0.81 RXFP1 (0.78) LMNAGAAMAPK1CYP1A2SMN1; SMN2
SCHEMBL4533692 0.81 RXFP1 (0.78) GAAALDH1A1MAPK1CYP1A2SMN1; SMN2
SCHEMBL10114429 0.81 MAPK1 (0.63) LMNAGAAALDH1A1MAPK1CYP1A2

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
CN-101801362-B Methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2014-01-22 — — CN disclosed
CN-101801362-A methods and compositions for treating disorders HYDRA BIOSCIENCES INC 2010-08-11 — — CN disclosed
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