SCHEMBL22136426

SCHEMBL22136426

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PLA2G2A P14555 2/20 0.38
▸ PLA2G4A P47712 2/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ PLA2G10 O15496 1/20 0.37
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL22136542 0.96 MKNK1 (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL22136492 0.95 SMN1; SMN2 (0.40) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL19166063 0.95 MKNK1 (0.41) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL22136629 0.95 MAPT (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL22136438 0.95 MAPT (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL19486918 0.94 MKNK1 (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL19165759 0.94 MKNK1 (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL19166526 0.94 MKNK1 (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL22136602 0.92 SMN1; SMN2 (0.41) MKNK1MAPTSMN1; SMN2HSD17B10NPC1
SCHEMBL19165329 0.92 MKNK1 (0.42) MKNK1MAPTSMN1; SMN2HSD17B10NPC1

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
Send feedback