SCHEMBL26599287

SCHEMBL26599287

C1=CN=C2NCCCN2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHKA P35790 1/20 0.32
HRH1 P35367 1/20 0.31
CASP1 P29466 2/20 0.31
CASP4 P49662 1/20 0.31
CASP5 P51878 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP7 P55210 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL1904288 0.88
SCHEMBL17081021 0.68 INMT (0.41) CHKACASP1TDP1KDM4EALDH1A1
SCHEMBL676238 0.67 INMT (0.44) CASP1TDP1KDM4EALDH1A1MAPT
SCHEMBL26566637 0.67 INMT (0.44) CASP1TDP1KDM4EALDH1A1MAPT
SCHEMBL4757712 0.65
SCHEMBL13611642 0.65 ADRB2 (0.46) HRH1CASP1CASP4CASP5TDP1
SCHEMBL5753333 0.64
SCHEMBL1752650 0.63 CHRNB2 (0.33) CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL8046555 0.63
SCHEMBL4073814 0.63 INMT (0.43) CHRNB2CHRNA4CHKAHRH1CASP1

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
WO-2023203438-A1 LIGHT-EMITTING DEVICE, ORGANIC COMPOUND, LIGHT-EMITTING APPARATUS, LIGHT-RECEIVING/EMITTING APPARATUS, ELECTRONIC INSTRUMENT, AND ILLUMINATION APPARATUS 株式会社半導体エネルギー研究所 2023-10-26 WO disclosed