SCHEMBL24155352

SCHEMBL24155352

c1ccc(-c2ccc(N(c3nc4ccccc4s3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.40
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SCD O00767 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL24155353 0.84 APP (0.50) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL24155351 0.82 APP (0.49) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL24155435 0.81 APP (0.48) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL27257470 0.81 APP (0.43) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL24155670 0.80 APP (0.46) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL13903629 0.78 RXRA (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6374128 0.78 RXRA (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL13903639 0.78 RXRA (0.46) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL24155355 0.78 CYP3A4 (0.52) APPNPC1RAB9ALMNASMN1; SMN2
SCHEMBL27257466 0.76 PIM1 (0.38) APPPDE10AALDH1A1GAAMEN1

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-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed