SCHEMBL6864428

SCHEMBL6864428

N#Cc1[c]c2cccc(C#N)c2cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PNMT P11086 1/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC9A1 P19634 1/20 0.31
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL621799 0.71 TSHR (0.38) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL644339 0.71 CA1 (0.40) HTTCA1CA2PNMTTSHR
SCHEMBL328822 0.70 HPRT1 (0.45) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL5748490 0.70 CA1 (0.44) HTTCA1CA2TSHRALDH1A1
SCHEMBL9746966 0.69 PNMT (0.52) HTTCA1CA2PNMTTSHR
SCHEMBL45954 0.69 CA1 (0.54) HTTCA1CA2PNMTTSHR
SCHEMBL29489124 0.69 CA1 (0.54) HTTCA1CA2PNMTTSHR
SCHEMBL745709 0.69 TRPV4 (0.30) TSHR
SCHEMBL16289214 0.67 HTT (0.42) HTTCA1CA2PNMTTSHR
SCHEMBL6418911 0.65 KDM4E (0.35) CA1CA2TSHRALDH1A1KDM4E

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-6800382-B2 RED LUMINESCENT DEVICE; LUMINANCE, STABLE AND HIGH IN COLOR PURITY SONY CORPORATION (JP) 2004-10-05 US disclosed
US-20030099863-A1 Organic electroluminescent device ISHIBASHI TADASHI (JP) 2003-05-29 US disclosed
US-6555254-B1 Red luminescent distyryl compound for flat panel displays SONY CORPORATION (JP) 2003-04-29 US disclosed