SCHEMBL20224313

SCHEMBL20224313

Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3c4sc4ccccc43)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
NR1I3 Q14994 1/20 0.35
ALOX5 P09917 1/20 0.34
SLC9A1 P19634 2/20 0.33
MAPT P10636 2/20 0.32
ABCB1 P08183 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
GAA P10253 1/20 0.32
ENPP1 P22413 1/20 0.31
PRKDC P78527 3/20 0.31
RAB9A P51151 1/20 0.31
MAOB P27338 1/20 0.31
RORC P51449 1/20 0.31
MAPK14 Q16539 1/20 0.31
DPP4 P27487 1/20 0.30
ENPP3 O14638 1/20 0.30

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
SCHEMBL20224314 0.93 ALOX5 (0.36) PDK2ALOX5MAPTMEN1KMT2A
SCHEMBL20224317 0.93 ALOX5 (0.35) PDK2ALOX5MAPTMEN1KMT2A
SCHEMBL14681623 0.92 ALOX5 (0.36) PDK2ALOX5MAPTMEN1KMT2A
SCHEMBL16250111 0.92 ALOX5 (0.36) PDK2ALOX5MAPTMEN1KMT2A
SCHEMBL20224315 0.92 ALOX5 (0.35) PDK2ALOX5
SCHEMBL18731666 0.92 ALOX5 (0.36) PDK2ALOX5MAPTMEN1KMT2A
SCHEMBL19862153 0.90 NR1I3 (0.33) PDK2NR1I3ALOX5SLC9A1MAPT
SCHEMBL20224325 0.89 ALOX5 (0.35) ALOX5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23951218 0.88 ALOX5 (0.34) ALOX5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20224281 0.88 MAPT (0.34) ALOX5MAPTSMN1; SMN2MEN1KMT2A

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
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed