SCHEMBL21793754

SCHEMBL21793754

c1ccc2c(c1)Oc1cccc3c1B2c1cc(-c2ccc4c(c2)oc2ccccc24)ccc1O3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
AHR P35869 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAOA P21397 4/20 0.35
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33

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
SCHEMBL21793755 0.94 MAPT (0.39) AHRNPC1RAB9AMAPTMEN1
SCHEMBL21793856 0.92 HCRTR1 (0.38) HCRTR1AHRNPC1RAB9AATM
SCHEMBL16889838 0.91 PLA2G2A (0.40) AHRNPC1RAB9AMAPTMEN1
SCHEMBL24002420 0.90 HCRTR1 (0.40) HCRTR1AHRNPC1RAB9AATM
SCHEMBL24307172 0.88 HCRTR1 (0.39) HCRTR1AHRNPC1RAB9AATM
SCHEMBL23406356 0.88 MAPT (0.36) AHRNPC1RAB9AMAPTMEN1
SCHEMBL21793857 0.86 MAPT (0.39) HCRTR1AHRNPC1RAB9AMAPT
SCHEMBL24002699 0.85 ALOX5 (0.36) HCRTR1AHRNPC1RAB9AATM
SCHEMBL16890662 0.85 MAPT (0.41) AHRNPC1RAB9AMAPTMEN1
SCHEMBL21793756 0.85 ALOX5 (0.35) HCRTR1NPC1RAB9AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
WO-2020045681-A1 ORGANIC ELECTROLUMINESCENT ELEMENT USING LIGHT EMITTING MATERIAL COMPOSED OF POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-03-05 WO disclosed