SCHEMBL7606972

SCHEMBL7606972

CNCCCNC.[C-]#N.[C-]#N.[Cu+2]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.33
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
HTR1B P28222 1/20 0.32
PAOX Q6QHF9 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32

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
Hydrochloric Acid SCHEMBL6665559 0.85 EPHX1 (0.50) EPHX1L3MBTL1PRMT3CARM1PRMT6
SCHEMBL148461 0.84
Ammonia Solution, Strong SCHEMBL17983284 0.81
SCHEMBL26919086 0.81
Hydrochloric Acid SCHEMBL28910571 0.81
Hydrochloric Acid SCHEMBL8310942 0.77
SCHEMBL331659 0.76
SCHEMBL6659566 0.76 EPHX1 (0.43) EPHX1L3MBTL1PRMT3CARM1PRMT6
SCHEMBL3024820 0.74 CYP2C19 (0.53) EPHX1MEN1KMT2APAOX
SCHEMBL26367204 0.74 CYP2C19 (0.53) EPHX1MEN1KMT2APAOX

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-6353081-B1 COMPOSITION COMPRISING EPOXY RESIN MIXTURE CONTAINING CURING AGENT FOR EPOXY RESIN MIXTURES CONSISTING ESSENTIALLY OF PSEUDOHALOGENIDE OF BIVALENT OR TRIVALENT METAL BAKELITE AG (DE) 2002-03-05 US disclosed