SCHEMBL22136807

SCHEMBL22136807

c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ IMPDH2 P12268 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ HCRTR1 O43613 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
SCHEMBL22136831 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL22136492 0.95 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL22130378 0.94 MAPT (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL22136447 0.94 MAPT (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL20991415 0.94 MEN1 (0.44) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL21029422 0.94 MEN1 (0.44) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL22136795 0.93 CYP19A1 (0.45) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL22136436 0.93 CYP1A1 (0.40) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL22136629 0.93 MAPT (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL20977642 0.92 MEN1 (0.43) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA

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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