SCHEMBL25816614

SCHEMBL25816614

c1ccc(-c2ccc3cc(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5cccc6c5ccc5ccccc56)n4)ccc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TNF P01375 1/20 0.40

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
SCHEMBL25816357 0.96 CA12 (0.47) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26303456 0.96 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26605973 0.96 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25816169 0.96 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25621493 0.96 MAPT (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL26278603 0.95 CA12 (0.43) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25621701 0.94 ALDH1A1 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25621506 0.94 MAPT (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25816356 0.94 CA12 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL25816616 0.94 CA12 (0.48) 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