SCHEMBL680118

SCHEMBL680118

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TSHR P16473 2/20 0.40
▸ DHFR P00374 1/20 0.37
▸ FGFR1 P11362 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AHR P35869 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34

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
SCHEMBL18858857 0.97 ALDH1A1 (0.38) ALDH1A1MAPTTSHRDHFRFGFR1
SCHEMBL12522701 0.94 MAPT (0.41) ALDH1A1MAPTTSHRDHFRFGFR1
SCHEMBL680762 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTSHRDHFRFGFR1
SCHEMBL844887 0.79 HTR1D (0.37) ALDH1A1MAPTFGFR1KDM4EHTT
SCHEMBL2361948 0.76 HTR6 (0.53) BCHEACHE
SCHEMBL31151770 0.75 KDM4E (0.46) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL7139964 0.75 KDM4E (0.46) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL13957096 0.74 MAPT (0.40) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL22721368 0.73 TSPO (0.40) ALDH1A1MAPTKDM4EHTTMEN1
SCHEMBL17051400 0.73 MAPT (0.35) MAPTKDM4EHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053547-B2 Conjugated polymers and blends containing carbazole, representation and use thereof MERCK PATENT GMBH (DE) 2011-11-08 — — US disclosed
US-20110068304-A1 Conjugated Polymers and Blends Containing Carbazole, Representation and Use Thereof MERCK PATENT GMBH (DE) 2011-03-24 — — US disclosed
US-7834136-B2 Conjugated polymers and blends containing carbazole, representation and use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2010-11-16 — — US disclosed
EP-1932866-A1 Blends comprising conjugated carbazole polymers, synthesis and usage thereof MERCK PATENT GmbH (DE) 2008-06-18 — — EP disclosed
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