SCHEMBL27252802

SCHEMBL27252802

c1ccc(-c2nc(-c3ccc4cc(-c5ccccc5-c5ccc6ccccc6c5)ccc4c3)nc(-c3cccc4sc5ccccc5c34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.42
S1PR4 O95977 7/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
MET P08581 1/20 0.35
ALOX5 P09917 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GSTP1 P09211 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21109252 0.96 S1PR5 (0.40) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL27455376 0.95 S1PR5 (0.43) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL26231384 0.94 S1PR5 (0.39) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL24122866 0.94 S1PR5 (0.40) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL22104532 0.94 S1PR5 (0.40) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL21148232 0.94 S1PR5 (0.40) S1PR5S1PR4KDM4EALDH1A1SMN1; SMN2
SCHEMBL24266824 0.94 S1PR5 (0.40) S1PR5S1PR4KDM4EALDH1A1SMN1; SMN2
SCHEMBL26231394 0.93 S1PR5 (0.39) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL21707163 0.93 S1PR5 (0.39) S1PR5S1PR4KDM4EALDH1A1TP53
SCHEMBL21148190 0.93 S1PR5 (0.42) S1PR5S1PR4KDM4EALDH1A1TP53

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-2023243925-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-12-21 WO disclosed