SCHEMBL17073387

SCHEMBL17073387

Cc1ccccc1-c1c(S)cccc1-c1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.37
▸ CLK4 Q9HAZ1 5/20 0.37
▸ CYP2C19 P33261 4/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ AR P10275 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ EDNRB P24530 1/20 0.35

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
SCHEMBL16221282 0.96 HTR7 (0.36) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL25081631 0.85 KDM4E (0.35) PRMT5WDR77HTR7KDM4E
SCHEMBL16743919 0.81 MCL1 (0.44) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL20071974 0.81 CYP1A2 (0.49) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL16135203 0.79 CYP1A2 (0.38) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL15424779 0.78 CD274 (0.41) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL17563707 0.77 APP (0.35) ALOX5APFEN1MCL1TRPA1LMNA
SCHEMBL27565196 0.77 NPC1 (0.38) TSHRCYP1A2CYP3A4ALDH1A1CYP2D6
SCHEMBL17641568 0.77 HTR7 (0.38) TSHRCLK4CYP2C19CYP1A2CYP3A4
SCHEMBL16135169 0.76 KDM4E (0.33) TSHRCLK4CYP2C19CYP1A2CYP3A4

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
WO-2015134017-A1 PHOSPHORESCENT OLED DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-09-11 — — WO disclosed
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