SCHEMBL9419129

SCHEMBL9419129

N#CC(C#N)=c1ccc(=C(C#N)C#N)[se]1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28137055 0.65 MAPT (0.35) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL10873765 0.63
SCHEMBL1501109 0.63 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNAPOLB
Ammonia Solution, Strong SCHEMBL10614215 0.63 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL9618215 0.63 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL8054171 0.63 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL1051092 0.63 MEN1 (0.34) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL9419095 0.59 KDM4E (0.31) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL10050773 0.59 MEN1 (0.33) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL22755824 0.59 ESR1 (0.32) KDM4EMEN1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290485-A Single crystal charge transfer complexes TORAY INDUSTRIES, INC. (JP) 1994-03-01 US claimed
US-5368782-A Method of operating third-order nonlinear optical element TORAY INDUSTRIES, INC. (JP) 1994-11-29 US disclosed
US-5290485-A Single crystal charge transfer complexes TORAY INDUSTRIES, INC. (JP) 1994-03-01 US disclosed
EP-0301551-B1 NONLINEAR OPTICAL ELEMENT TORAY INDUSTRIES, INC. (JP) 1993-03-03 EP disclosed
EP-0301551-A1 Nonlinear optical element TORAY INDUSTRIES, INC. (JP) 1989-02-01 EP disclosed
US-4663270-A Multistate optical switching and memory using an amphoteric organic charge transfer material THE JOHNS HOPKINS UNIVERSITY (US) 1987-05-05 US disclosed