SCHEMBL8050267

SCHEMBL8050267

CNc1ccc([N+](C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
APP P05067 5/20 0.41
ALDH1A1 P00352 3/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38

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
Hydrochloric Acid SCHEMBL2142086 0.95 TSHR (0.42) TSHRAPOBEC3AAPOBEC3GAPPALDH1A1
SCHEMBL153943 0.78 TSHR (0.67) TSHRAPPALDH1A1RECQLHSD17B10
SCHEMBL2489383 0.78 APOBEC3A (0.62) APOBEC3AAPOBEC3GCA12ACHECA9
SCHEMBL14401370 0.76 SLC2A1 (0.45) TSHRALDH1A1HSD17B10CA2CA1
Hydrochloric Acid SCHEMBL2801770 0.75 TSHR (0.62) TSHRAPPALDH1A1RECQLHSD17B10
Hydrochloric Acid SCHEMBL6241253 0.75 TSHR (0.62) TSHRAPPALDH1A1RECQLHSD17B10
Hydrochloric Acid SCHEMBL6368015 0.75 APOBEC3A (0.59) APOBEC3AAPOBEC3GALDH1A1CA12ACHE
Bromide SCHEMBL7630752 0.75 TSHR (0.62) TSHRAPPALDH1A1RECQLHSD17B10
Iodide SCHEMBL6373433 0.75 APOBEC3A (0.69) APOBEC3AAPOBEC3GCA12ACHECA9
Hydrochloric Acid SCHEMBL9647124 0.72 TSHR (0.59) TSHRAPPALDH1A1RECQLHSD17B10

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
EP-0606858-B1 Liquid crystal compositions and liquid crystal display devices CHISSO CORP (JP) 2000-04-26 EP claimed