SCHEMBL16772362

SCHEMBL16772362

Cc1ccccc1-c1c2ccc(-c3ccccc3-c3ccccc3)cc2c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccc(-c3ccccc3-c3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DPP4 P27487 1/20 0.39
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ TSHR P16473 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CTSD P07339 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL12133844 0.86 RAB9A (0.44) L3MBTL1ENPP3ENPP1TSHRMAPK1
SCHEMBL4276677 0.84 MCL1 (0.44) ENPP3ENPP1TSHRCYP1A2CYP2D6
SCHEMBL10301148 0.82 MEN1 (0.42) L3MBTL1ENPP1TSHRALDH1A1HPGD
SCHEMBL10301146 0.82 MEN1 (0.42) L3MBTL1TSHRMAPK1ALDH1A1HPGD
SCHEMBL4262930 0.80 CYP1A2 (0.46) TSHRCYP1A2CYP2D6CYP2C19CLK4
SCHEMBL22766704 0.79 GPR55 (0.43) L3MBTL1ENPP1TSHRCYP1A2MAPK1
SCHEMBL22766809 0.79 GPR55 (0.43) L3MBTL1ENPP1TSHRCYP1A2MAPK1
SCHEMBL22766459 0.79 GPR55 (0.43) L3MBTL1ENPP1TSHRCYP1A2MAPK1
SCHEMBL22766641 0.79 GPR55 (0.43) L3MBTL1ENPP1TSHRCYP1A2MAPK1
SCHEMBL22766665 0.79 GPR55 (0.43) L3MBTL1ENPP1TSHRCYP1A2MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150155514-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
US-20150155514-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2015-06-04 — — US disclosed
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