SCHEMBL13589745

SCHEMBL13589745

CCCCCCc1c(CCCCCC)c(-c2ccc(C)s2)c2nsnc2c1-c1ccc(C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ GCGR P47871 9/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ ESR1 P03372 2/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ TACR2 P21452 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ HSF1 Q00613 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SHBG P04278 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL13589746 0.97 KCNH2 (0.36) KCNH2GCGRGPR35ALDH1A1MAPT
SCHEMBL13018477 0.86 — —
SCHEMBL13018476 0.86 — —
SCHEMBL13018486 0.86 — —
SCHEMBL23352500 0.82 MCHR1 (0.38) KCNH2ADRA2ASLC6A2SLC6A4SLC6A3
SCHEMBL25451093 0.81 KDM4E (0.40) ALDH1A1MAPTESR1ADRA2AADORA3
SCHEMBL862297 0.77 GCGR (0.50) KCNH2GCGRATM
SCHEMBL13018480 0.76 — —
SCHEMBL10164686 0.76 KCNH2 (0.43) KCNH2GPR35ALDH1A1MAPTATM
SCHEMBL10164685 0.76 KCNH2 (0.43) KCNH2GPR35ALDH1A1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090302748-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-10 — — US disclosed
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