SCHEMBL22136602

SCHEMBL22136602

c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PLA2G2A P14555 4/20 0.40
▸ PLA2G4A P47712 4/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ PLA2G10 O15496 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL19165225 0.96 SMN1; SMN2 (0.43) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136857 0.95 SMN1; SMN2 (0.42) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL19165883 0.95 PLA2G2A (0.43) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136861 0.95 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136891 0.95 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136426 0.92 MKNK1 (0.40) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136849 0.91 DYRK1A (0.41) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL22136611 0.90 KDM4E (0.45) SMN1; SMN2MAPTNPC1HSD17B10RAB9A
SCHEMBL24169553 0.90 PLA2G2A (0.47) SMN1; SMN2MAPTNPC1RAB9APLA2G2A
SCHEMBL24169819 0.90 PLA2G2A (0.47) SMN1; SMN2MAPTNPC1RAB9APLA2G2A

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-2020130724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
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