SCHEMBL3868211

SCHEMBL3868211

Cc1cc(-c2coc3ccccc23)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
BACE1 P56817 1/20 0.46
AHR P35869 1/20 0.45
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 8/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 5/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
HCRTR1 O43613 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 3/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 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
SCHEMBL1088580 0.78 CYP1A2 (0.69) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL23283896 0.77 CYP1A2 (0.58) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL15590911 0.77 CYP1A2 (0.50) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL15536785 0.75 ALOX5 (0.46) CYP1A2BACE1AHRALDH1A1KDM4E
Bromide SCHEMBL4396731 0.75 CYP1A2 (0.64) CYP1A2BACE1AHRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4384053 0.75 CYP1A2 (0.64) CYP1A2BACE1AHRALDH1A1KDM4E
Iodide SCHEMBL4544205 0.75 CYP1A2 (0.64) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL14451016 0.74 CYP1A2 (0.55) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL12525155 0.74 CYP1A2 (0.55) CYP1A2BACE1AHRALDH1A1KDM4E
SCHEMBL1345560 0.74 MEN1 (0.60) CYP1A2BACE1AHRALDH1A1KDM4E

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-7560176-B2 Light-emitting element and iridium complex CHI MEI OPTOELECTRONICS CORP. (TW) 2009-07-14 US disclosed
US-20050025995-A1 Light-emitting element and iridium complex Innolux Corporation (TW) 2005-02-03 US disclosed