SCHEMBL22136871

SCHEMBL22136871

c1ccc(-c2nc(-c3cc(-c4ccc(-c5ccncc5)cc4)cc(-c4ccc5c(c4)Oc4ccccc4O5)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL22136772 0.93 KDM4E (0.36) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136857 0.90 SMN1; SMN2 (0.42) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136611 0.90 KDM4E (0.45) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136701 0.89 PGR (0.41) HSD17B10SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL22136630 0.87 PLA2G2A (0.40) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136757 0.87 MKNK1 (0.37) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136547 0.87 MKNK1 (0.37) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL19165225 0.86 SMN1; SMN2 (0.43) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL22136869 0.85 SMN1; SMN2 (0.40) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL26572227 0.85 SMN1; SMN2 (0.40) HSD17B10SMN1; SMN2LMNAKDM4EALDH1A1

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