SCHEMBL25816615

SCHEMBL25816615

c1ccc(-c2ccc3cc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNF P01375 1/20 0.42

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
SCHEMBL26605987 0.99 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25816911 0.99 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26605972 0.96 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26303460 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25681234 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL24527238 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL27256298 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25816246 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26300910 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26605976 0.96 CA12 (0.51) CA12CA1CA2CA9SMN1; SMN2

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-2023113381-A1 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-22 WO disclosed