SCHEMBL11269028

SCHEMBL11269028

COc1ccc2cc(C(O)CNC(C)C)ccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.70
CYP1A2 P05177 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HIF1A Q16665 2/20 0.70
CYP2D6 P10635 2/20 0.70
ADRB2 P07550 4/20 0.61
ADRB1 P08588 4/20 0.61
ADRB3 P13945 3/20 0.61
SLC22A3 O75751 1/20 0.61
MAPT P10636 3/20 0.56
MTOR P42345 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56

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
Pronetalol SCHEMBL31108442 0.83 TSHR (1.00) TSHRCYP1A2MEN1KMT2AHIF1A
Pronetalol SCHEMBL9666931 0.83 TSHR (1.00) TSHRCYP1A2MEN1KMT2AHIF1A
Pronetalol SCHEMBL78996 0.83 TSHR (1.00) TSHRCYP1A2MEN1KMT2AHIF1A
Pronetalol SCHEMBL3203560 0.81 TSHR (0.97) TSHRCYP1A2MEN1KMT2AHIF1A
Pronetalol SCHEMBL10783519 0.81 TSHR (0.97) TSHRCYP1A2MEN1KMT2AHIF1A
Pronetalol SCHEMBL14973465 0.80 TSHR (0.94) TSHRCYP1A2MEN1KMT2AHIF1A
SCHEMBL5661148 0.79 ABCB11 (0.70) TSHRCYP1A2MAPTTDP1LMNA
SCHEMBL5660959 0.79 ABCB11 (0.70) TSHRCYP1A2MAPTTDP1LMNA
SCHEMBL5661142 0.79 ABCB11 (0.70) TSHRCYP1A2MAPTTDP1LMNA
SCHEMBL15087422 0.79 AKR1C3 (0.62) TSHRCYP1A2MAPTTDP1LMNA

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-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed