SCHEMBL680762

SCHEMBL680762

Cc1ccc2c3ccc(C)cc3n(-c3cccs3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ DHFR P00374 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ AHR P35869 1/20 0.33

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 0.86 ALDH1A1 (0.38) ALDH1A1MAPTTSHRDHFRKDM4E
SCHEMBL680118 0.86 ALDH1A1 (0.40) ALDH1A1MAPTTSHRDHFRKDM4E
SCHEMBL12522701 0.83 MAPT (0.41) ALDH1A1MAPTTSHRDHFRKDM4E
SCHEMBL31151770 0.75 KDM4E (0.46) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL7139964 0.75 KDM4E (0.46) ALDH1A1MAPTTSHRKDM4EHTT
SCHEMBL22721389 0.73 KDM4E (0.35) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL680185 0.71 MAPT (0.38) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL22721369 0.70 CA1 (0.34) KDM4EL3MBTL1
SCHEMBL8739857 0.69 CYP1A2 (0.41) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL679025 0.69 KDM4E (0.56) ALDH1A1KDM4EHTTMEN1KMT2A

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 5 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-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
US-7834136-B2 Conjugated polymers and blends containing carbazole, representation and use thereof COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2010-11-16 — — US disclosed
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