SCHEMBL11529782

SCHEMBL11529782

COc1ccc(CCOc2cccc(Cn3c(SC)nccc3=O)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ THRB P10828 1/20 0.47
▸ SLC2A1 P11166 4/20 0.44
▸ SLC2A4 P14672 2/20 0.44
▸ SLC2A8 Q9NY64 1/20 0.44
▸ CYP1A2 P05177 9/20 0.43
▸ CYP3A4 P08684 9/20 0.43
▸ CYP2C19 P33261 8/20 0.43
▸ CYP2C9 P11712 8/20 0.43
▸ USP2 O75604 7/20 0.43
▸ TSHR P16473 6/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CLK4 Q9HAZ1 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 2/20 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
SCHEMBL11533616 0.83 KMT2A (0.43) MAPTTHRBCYP1A2CYP3A4CYP2C19
SCHEMBL11538824 0.77 MAOB (0.46) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL11531524 0.76 KMT2A (0.44) MAPTTHRBSLC2A1SLC2A4SLC2A8
SCHEMBL10921216 0.71 CYP1A2 (0.43) THRBCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL24041762 0.70 BCHE (0.50) SLC2A1SLC2A4SLC2A8
SCHEMBL15015882 0.70 ATM (0.47) MAPTCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL11459041 0.69 PLA2G7 (0.51) SLC2A1KMT2ATP53MEN1
SCHEMBL11531515 0.68 MAPT (0.52) MAPTSLC2A1SLC2A4SLC2A8LMNA
SCHEMBL24041787 0.67 BCHE (0.45) SLC2A1SLC2A4SLC2A8ALOX15
SCHEMBL24041759 0.67 SLC2A1 (0.50) SLC2A1SLC2A4SLC2A8

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-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 — — US disclosed
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