SCHEMBL22809368

SCHEMBL22809368

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.68
CYP11B1 P15538 7/20 0.68
CYP19A1 P11511 6/20 0.68
CYP17A1 P05093 4/20 0.68
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
CYP2A6 P11509 1/20 0.48
KMO O15229 1/20 0.48
DHODH Q02127 1/20 0.47
PGR P06401 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL17808069 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL19397483 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17807977 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17917876 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17917898 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17808063 0.99 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL21725381 0.99 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17918124 0.99 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL17918135 0.97 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1
SCHEMBL21725413 0.97 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1CYP17A1CYP1A1

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
EP-3754739-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2020-12-23 EP disclosed