SCHEMBL10292364

SCHEMBL10292364

CC(C)c1ccc(O)c(Cn2nc3ccccc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ BCL2 P10415 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ HTT P42858 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RNASEH1 O60930 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ESRRA P11474 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL11466945 0.80 LMNA (0.55) LMNAALDH1A1TSHRBCL2MCL1
SCHEMBL28034398 0.80 GABRA1 (0.42) LMNAALDH1A1TSHRBCL2MCL1
SCHEMBL13900943 0.79 TSHR (0.39) LMNAALDH1A1TSHRGAAHIF1A
SCHEMBL28116650 0.77 BCL2 (0.56) LMNAALDH1A1TSHRBCL2MCL1
SCHEMBL17304955 0.76 TSHR (0.39) LMNAALDH1A1TSHRGAAALOX5AP
SCHEMBL12843999 0.76 TSHR (0.39) LMNAALDH1A1TSHRGAAALOX5AP
SCHEMBL27501139 0.76 KCNMA1 (0.53) LMNAALDH1A1TSHRHTTHIF1A
SCHEMBL29565 0.75 CYP3A4 (0.51) LMNAALDH1A1TSHRGAAHIF1A
SCHEMBL21901400 0.74 ESR1 (0.44) LMNATSHRGAAHIF1ACACNA1B
SCHEMBL9340821 0.74 NPC1 (0.64) LMNAALDH1A1TSHRHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265692-B1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-07-04 — — EP disclosed
WO-2011107218-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 — — WO disclosed
WO-2011009524-A1 LIQUID CRYSTAL MEDIUM AND HIGH-FREQUENCY COMPONENTS CONTAINING THE SAME MERCK PATENT GMBH (DE) 2011-01-27 — — WO disclosed
EP-1832643-B1 Liquid crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2010-04-07 — — EP disclosed
EP-1808473-B1 Liquid crystal medium MERCK PATENT GMBH (DE) 2010-02-10 — — EP disclosed
EP-2085454-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-08-05 — — EP disclosed
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