SCHEMBL22136447

SCHEMBL22136447

Brc1cc(-c2ccc(-c3ccncc3)cc2)cc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL22130378 1.00 MAPT (0.40) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136807 0.94 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136831 0.94 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22130419 0.93 MAPT (0.40) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136434 0.93 MAPT (0.40) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136598 0.92 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22130417 0.92 SMN1; SMN2 (0.43) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136759 0.90 CYP19A1 (0.43) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22136492 0.90 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL22130381 0.90 MEN1 (0.41) MAPTALDH1A1HPGDKDM4ELMNA

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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