SCHEMBL14234599

SCHEMBL14234599

C(#Cc1c2cc3ccsc3cc2c(C#Cc2ccccc2)c2cc3ccsc3cc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.41
▸ APP P05067 1/20 0.40
▸ CYP2A6 P11509 2/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ASIC3 Q9UHC3 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL20044944 0.87 GRM5 (0.33) GRM5APPATMTDP1L3MBTL1
SCHEMBL17263313 0.80 CYP2A6 (0.31) CYP2A6
SCHEMBL5683034 0.78 APP (0.55) GRM5APPATMTDP1L3MBTL1
SCHEMBL15069878 0.77 CYP2A6 (0.38) CYP2A6CA12CA2
SCHEMBL12590007 0.75 ELANE (0.32) GRM5CYP2A6
SCHEMBL4586398 0.75 GRM4 (0.33) CYP2A6
SCHEMBL442909 0.74 APP (0.50) GRM5APPATMTDP1L3MBTL1
SCHEMBL18091340 0.74 APP (0.50) GRM5APPATMTDP1L3MBTL1
SCHEMBL762098 0.73 CYP2A6 (0.35) CYP2A6KDM4E
SCHEMBL762259 0.73 CYP2A6 (0.35) CYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9190622-B2 Hybrid ambipolar TFTs MERCK PATENT GMBH (DE) 2015-11-17 — — US disclosed
US-9190622-B2 Hybrid ambipolar TFTs MERCK PATENT GMBH (DE) 2015-11-17 — — US disclosed
WO-2012163464-A1 HYBRID AMBIPOLAR TFTS MERCK PATENT GMBH (DE) 2012-12-06 — — WO disclosed
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