SCHEMBL16403522

SCHEMBL16403522

CC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)C)cc3)c3c2C(=O)c2c(-c4ccccc4)ccc(-c4ccccc4)c2C3=S)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HSD17B2 P37059 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G1B P04054 1/20 0.35
▸ NFKB1 P19838 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
SCHEMBL10935206 0.86 MAPT (0.38) CYP1A2TSHRNPC1RAB9AL3MBTL1
SCHEMBL14489850 0.82 AKR1C3 (0.47) ABCG2CYP1A2TSHRAKR1C3AKR1C2
SCHEMBL13962363 0.79 AKR1C3 (0.48) CYP1A2TSHRAKR1C3AKR1C2NPC1
SCHEMBL9242850 0.78 NPC1 (0.50) CYP1A2TSHRNPC1RAB9AL3MBTL1
SCHEMBL16402889 0.74 KDM4E (0.39) NPC1RAB9AL3MBTL1MAPTMAPK1
SCHEMBL29099907 0.73 ABCG2 (0.47) ABCG2AKR1C3AKR1C2L3MBTL1MEN1
SCHEMBL28520560 0.73 RAB9A (0.50) CYP1A2TSHRNPC1RAB9AL3MBTL1
SCHEMBL23118189 0.72 AKR1C3 (0.46) ABCG2AKR1C3AKR1C2NPC1RAB9A
SCHEMBL30503054 0.72 AKR1C3 (0.46) ABCG2AKR1C3AKR1C2NPC1RAB9A
SCHEMBL16403521 0.72 MAPT (0.41) CYP1A2TSHRAKR1C3AKR1C2MAPT

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
EP-3022273-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME Saint-Gobain Glass France (FR) 2016-05-25 — — EP disclosed
WO-2015007218-A1 LIQUID CRYSTAL POLYMER COMPOSITION, METHOD FOR PREPARING SAME, AND LIQUID CRYSTAL ARTICLE COMPRISING SAME SAINT-GOBAIN GLASS FRANCE (FR) 2015-01-22 — — WO disclosed
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