SCHEMBL21390684

SCHEMBL21390684

c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 1/20 0.47
DHODH Q02127 1/20 0.45
ACHE P22303 1/20 0.43
MCL1 Q07820 2/20 0.43
CTRC Q99895 1/20 0.41
MYC P01106 1/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA2A P29274 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
NTSR1 P30989 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL16641437 1.00 CYP19A1 (0.47) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL18996703 1.00 CYP19A1 (0.47) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL19501136 0.98 CYP19A1 (0.46) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL19501134 0.98 CYP19A1 (0.46) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL26286214 0.98 CYP19A1 (0.46) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL25106116 0.98 CYP19A1 (0.46) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL19501128 0.98 CYP19A1 (0.46) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL16641371 0.98 MEN1 (0.48) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL16641389 0.98 MEN1 (0.48) CYP19A1MEN1KMT2ARAB9ADHODH
SCHEMBL16641413 0.98 MEN1 (0.48) CYP19A1MEN1KMT2ARAB9ADHODH

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed