SCHEMBL21926432

SCHEMBL21926432

N=C(N)c1ccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
GGPS1 O95749 1/20 0.43
F2 P00734 2/20 0.43
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
PLAT P00750 2/20 0.43
PRSS1 P07477 2/20 0.43
F10 P00742 1/20 0.43
CHEK2 O96017 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.40
PRKDC P78527 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL28919945 0.85 ALOX5 (0.56) ALOX5GGPS1F2PLGPLAU
SCHEMBL20277131 0.85 ALOX5 (0.69) ALOX5GGPS1PTGES2PRKDCKDM4E
SCHEMBL12069400 0.85 ALOX5 (0.69) ALOX5GGPS1PTGES2PRKDCKDM4E
SCHEMBL3368604 0.84 MEN1 (0.55) F2PLGPLAUPLATPRSS1
SCHEMBL1635447 0.82 ALOX5 (0.66) ALOX5GGPS1PTGES2PRKDCKDM4E
Hydrochloric Acid SCHEMBL29213647 0.82 KMT2A (0.53) F2PLGPLAUPLATPRSS1
SCHEMBL14410427 0.81 ALOX5 (0.64) ALOX5GGPS1PTGES2PRKDCKDM4E
SCHEMBL1637355 0.81 ALOX5 (0.64) ALOX5GGPS1PTGES2PRKDCKDM4E
SCHEMBL15855428 0.81 ALOX5 (0.64) ALOX5GGPS1PTGES2PRKDCKDM4E
SCHEMBL15855426 0.81 ALOX5 (0.64) ALOX5GGPS1PTGES2PRKDCKDM4E

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-2020085740-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-04-30 WO disclosed