SCHEMBL4539281

SCHEMBL4539281

N=C(N)C1=Cc2ccccc2OC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
NFKB1 P19838 3/20 0.48
NFKB2 Q00653 3/20 0.48
RELA Q04206 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAOB P27338 4/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAOA P21397 3/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.41

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
SCHEMBL545827 0.86 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31560392 0.86 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6028658 0.82 ALOX5 (0.54) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30387758 0.82 ALOX5 (0.54) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30667824 0.79 ALOX5 (0.51) ALOX5SMN1; SMN2NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL16669663 0.77 ALOX5 (0.52) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL212724 0.76 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16397645 0.76 ALOX5 (0.64) ALOX5SMN1; SMN2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL23532714 0.75 ALOX5 (0.62) ALOX5SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9058393 0.75 ALOX5 (0.67) ALOX5SMN1; SMN2NPC1RAB9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103328463-B Chromene derivatives and analogs thereof as Wnt pathway antagonists 德国癌症研究中心 2018-04-03 CN disclosed
CN-107235954-A Chromene derivatives and analogs thereof as Wnt pathway antagonists 德国癌症研究中心 2017-10-10 CN disclosed
CN-103328463-A Chromene derivatives and analogs thereof as Wnt pathway antagonists DEUTSCHES KREBSFORSCH 2013-09-25 CN disclosed
EP-2638025-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed