SCHEMBL22080720

SCHEMBL22080720

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4cc(-c6ccncc6)c(-c6ccncc6)cc4O5)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ IMPDH2 P12268 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ LMNA P02545 2/20 0.37

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
SCHEMBL22080433 0.99 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080701 0.96 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080721 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080727 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080786 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080784 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080427 0.94 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080725 0.89 MEN1 (0.43) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL22080986 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1TSHRHTT
SCHEMBL22080412 0.87 CYP11B1 (0.46) SMN1; SMN2MAPTALDH1A1TSHRNPC1

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
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