SCHEMBL22708647

SCHEMBL22708647

C1=CCCC(c2cc(-c3cc(-c4cc(-c5ccccc5)ccn4)cc(-c4cc(-c5ccccc5)ccn4)c3)cc(-c3ccccc3)n2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
ASIC3 Q9UHC3 1/20 0.36
CDK1 P06493 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
SMO Q99835 2/20 0.34
PIM1 P11309 1/20 0.34
TGFBR1 P36897 1/20 0.33
USP30 Q70CQ3 1/20 0.33
LTB4R Q15722 6/20 0.33
MYC P01106 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 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
SCHEMBL21117976 0.95 CYP19A1 (0.38) CYP19A1ASIC3CDK1MAPKAPK2MAPKAPK3
SCHEMBL24445354 0.89 CYP19A1 (0.39) CYP19A1LTB4RMYCMEN1KMT2A
SCHEMBL20038843 0.89 CYP19A1 (0.39) CYP19A1LTB4RMYCMEN1KMT2A
SCHEMBL23280061 0.87 ASIC3 (0.41) ASIC3CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL20038842 0.86 CYP19A1 (0.37) CYP19A1LTB4RMYCMEN1KMT2A
SCHEMBL19055571 0.85 CDK1 (0.32) CYP19A1CDK1MAPKAPK2MAPKAPK3MAPKAPK5
SCHEMBL25826891 0.84 CYP19A1 (0.30) CYP19A1
SCHEMBL25557058 0.83 MEN1 (0.37) CYP19A1MEN1KMT2A
SCHEMBL17932831 0.81 CYP19A1 (0.53) CYP19A1ASIC3SMOPIM1TGFBR1
SCHEMBL17725860 0.80 GABRA1 (0.45) CYP19A1MEN1KMT2AGABRA1GABRG2

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
EP-3742508-A1 ORGANIC LIGHT-EMITTING DEVICE AND APPARATUS INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2020-11-25 EP disclosed