SCHEMBL15977876

SCHEMBL15977876

c1ccc(-c2ccnc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)c2-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.44
HTR5A P47898 2/20 0.44
PIK3CA P42336 2/20 0.42
ADORA2A P29274 4/20 0.41
ADORA1 P30542 4/20 0.41
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
ESR1 P03372 5/20 0.38
ESR2 Q92731 5/20 0.38
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL15977475 1.00 HTR2B (0.44) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL15977426 0.96 HTR2B (0.44) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL15977422 0.95 HTR2B (0.46) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL18431630 0.91 HTR2B (0.38) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL15977867 0.91 PIK3CA (0.49) HTR2BHTR5APIK3CAPLGPLAU
SCHEMBL15977468 0.91 PIK3CA (0.49) HTR2BHTR5APIK3CAPLGPLAU
SCHEMBL10300956 0.89 PIK3CA (0.43) HTR2BHTR5APIK3CAADORA2AESR1
SCHEMBL15977555 0.88 PTGS1 (0.44) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL15977543 0.88 PTGS1 (0.44) HTR2BHTR5APIK3CAADORA2AADORA1
SCHEMBL10300908 0.85 PIK3CA (0.44) HTR2BHTR5APIK3CAESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed