SCHEMBL21936769

SCHEMBL21936769

C1=CCCC(N(c2ccccc2)c2ccc3sc4ccc(N(c5ccccc5)c5ccc6sc7ccccc7c6c5)cc4c3c2)=C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
GPR3 P46089 1/20 0.34
PTGIR P43119 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL20709577 0.96 CYP1A2 (0.33) CYP1A2GPR3PTGIR
SCHEMBL20341939 0.96 KDM4E (0.30) CYP1A2ALDH1A1MAPT
SCHEMBL24883287 0.88 KDM4E (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL24947308 0.86 KDM4E (0.32)
SCHEMBL27345129 0.84 SIGMAR1 (0.30)
SCHEMBL22146986 0.83
SCHEMBL17227071 0.83 CYP1A2 (0.33) CYP1A2GPR3PTGIRPTPN7DUSP3
SCHEMBL20341893 0.82
SCHEMBL23314347 0.81 GPR3 (0.52) CYP1A2GPR3PTGIRPTPN7DUSP3
SCHEMBL15730671 0.81 GPR3 (0.52) CYP1A2GPR3PTGIRPTPN7DUSP3

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-2020085797-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-04-30 WO disclosed