SCHEMBL22080701

SCHEMBL22080701

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3cc(-c5ccncc5)c(-c5ccncc5)cc3O4)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ MAPT P10636 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ NOTUM Q6P988 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL22080786 0.99 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080727 0.99 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080784 0.99 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080720 0.96 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080427 0.96 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080721 0.96 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080433 0.95 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080725 0.92 MEN1 (0.43) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL22080986 0.92 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080733 0.89 MAPT (0.44) SMN1; SMN2MAPTALDH1A1TSHRHTT

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-2020116875-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 두산솔루스 주식회사 2020-06-11 — — WO disclosed
Send feedback