SCHEMBL5928567

SCHEMBL5928567

C=Cc1c(OC)ccc(C#N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
AR P10275 11/20 0.42
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL28830766 0.77 TSHR (0.38) IMPDH2IMPDH1ALDH1A1KDM4EAR
SCHEMBL15389432 0.74 ALDH1A1 (0.52) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL23880593 0.74 ALDH1A1 (0.52) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL16950440 0.74 ALDH1A1 (0.56) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL8458204 0.73 ESR1 (0.33) ALDH1A1KDM4EARMAOAMAOB
SCHEMBL12957782 0.71 ALDH1A1 (0.52) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL15155225 0.70 TRPA1 (0.56) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL7064467 0.70 MAPT (0.53) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL31124656 0.70 MAPT (0.53) IMPDH2IMPDH1ALDH1A1KDM4EUSP2
SCHEMBL28073141 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205096-A1 Method for manufacturing nonlinear optical element OKI ELECTRIC INDUSTRY INDUSTRY CO., LTD. (JP) 2006-09-14 US claimed
US-20060205096-A1 Method for manufacturing nonlinear optical element OKI ELECTRIC INDUSTRY INDUSTRY CO., LTD. (JP) 2006-09-14 US disclosed