SCHEMBL11458571

SCHEMBL11458571

C[CH]CCOC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
TDP1 Q9NUW8 2/20 0.63
F2 P00734 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46

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
SCHEMBL19633028 0.86 LMNA (0.61) LMNATDP1F2MAPK1HIF1A
SCHEMBL19139254 0.86 LMNA (0.61) LMNATDP1F2MAPK1HIF1A
SCHEMBL27316107 0.85 TDP1 (0.50) LMNATDP1KMT2ATSHRSMN1; SMN2
Propene SCHEMBL4012587 0.83 LMNA (0.67) LMNATDP1F2MAPK1HIF1A
SCHEMBL2844201 0.83 TDP1 (0.66) LMNATDP1F2MAPK1HIF1A
Propene SCHEMBL6062789 0.83 LMNA (0.67) LMNATDP1F2MAPK1HIF1A
Propene SCHEMBL4455281 0.83 LMNA (0.67) LMNATDP1F2MAPK1HIF1A
Propene SCHEMBL6431713 0.83 LMNA (0.67) LMNATDP1F2MAPK1HIF1A
SCHEMBL15578959 0.82 LMNA (0.66) LMNATDP1F2MAPK1HIF1A
SCHEMBL21104603 0.82 LMNA (0.61) LMNATDP1F2MAPK1HIF1A

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-4211696-A Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 US disclosed