SCHEMBL20937412

SCHEMBL20937412

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccnc3)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP19A1 P11511 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP17A1 P05093 2/20 0.40
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
CLK4 Q9HAZ1 3/20 0.39
TSHR P16473 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
DHODH Q02127 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL20937406 0.97 CYP11B1 (0.43) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937437 0.95 MAPT (0.41) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937588 0.94 CYP11B1 (0.42) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937374 0.94 CYP11B1 (0.39) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937377 0.94 CYP11B1 (0.39) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937399 0.93 CYP11B1 (0.40) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL21147035 0.92 CYP11B1 (0.39) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937369 0.92 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4ALDH1A1CYP1A2
SCHEMBL20937380 0.92 PDE5A (0.41) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4
SCHEMBL20937408 0.91 CYP11B1 (0.40) CYP11B1CYP19A1CYP11B2CYP17A1CYP3A4

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
WO-2019076844-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-25 WO disclosed