SCHEMBL19003775

SCHEMBL19003775

N#Cc1ccc2cc(-c3ccc4c5c(ccc(-c6ccc7cc(C#N)ccc7c6)c35)-c3c-4c(-c4ccccc4)c4ccccc4c3-c3ccccc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
CYP17A1 P05093 1/20 0.45
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CYP19A1 P11511 1/20 0.40
SLC22A12 Q96S37 2/20 0.38
XDH P47989 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
FASN P49327 1/20 0.37
CSF1R P07333 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
ADORA2A P29274 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PIM1 P11309 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
SCHEMBL10038778 0.91 CYP11B1 (0.42) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL13170700 0.90 CYP11B1 (0.41) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL13170711 0.90 CYP11B1 (0.44) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL13170653 0.89 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL13170718 0.87 CYP11B1 (0.39) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL19003779 0.86 ADORA2A (0.41) SLC22A12XDHMEN1KMT2AADORA2A
SCHEMBL13170682 0.86 CA1 (0.39) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL13170654 0.86 CYP11B1 (0.43) CYP11B1CYP11B2CYP17A1CA1CA2
SCHEMBL19003760 0.86 ADORA2A (0.45) MEN1KMT2AADORA2APTGDR2ALDH1A1
SCHEMBL19003768 0.86 ATM (0.42) CYP11B2SLC22A12MEN1KMT2AFASN

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-2017104767-A1 COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME TDK株式会社 2017-06-22 WO disclosed