SCHEMBL24628548

SCHEMBL24628548

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5oc6cccc7c8ccccc8c4c5c67)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
ATM Q13315 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL24628075 0.93 ALDH1A1 (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628321 0.92 PLA2G2A (0.39) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628554 0.92 PLA2G2A (0.39) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628517 0.92 KMT2A (0.43) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628544 0.91 PLA2G2A (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628249 0.88 ALDH1A1 (0.42) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628546 0.87 ALOX5 (0.39) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL16641460 0.86 L3MBTL1 (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL24628017 0.85 HPGD (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL23138922 0.85 PLA2G2A (0.37) MAPTALDH1A1HPGDKDM4ESMN1; 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-2022148717-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 WO disclosed