SCHEMBL22563410

SCHEMBL22563410

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)cc2C#N)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
XDH P47989 2/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
AR P10275 3/20 0.33
METAP2 P50579 1/20 0.32
RXRA P19793 3/20 0.32
RXRB P28702 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL23487296 0.95 ABCG2 (0.34) CYP11B1CYP11B2XDHABCG2AR
SCHEMBL23487634 0.93 CYP11B1 (0.34) CYP11B1CYP11B2XDHABCG2AR
SCHEMBL22563392 0.92 CYP11B1 (0.34) CYP11B1CYP11B2XDHABCG2AR
SCHEMBL21108023 0.92 CYP11B1 (0.34) CYP11B1CYP11B2XDHARRXRA
SCHEMBL23487633 0.89 ABCG2 (0.34) CYP11B1CYP11B2XDHABCG2AR
SCHEMBL22563399 0.88 TSHR (0.38) XDHABCG2ALOX5APFEN1TSHR
SCHEMBL19909007 0.87 METAP2 (0.34) CYP11B1CYP11B2XDHARMETAP2
SCHEMBL21278847 0.87 CYP11B1 (0.33) CYP11B1CYP11B2XDHARMETAP2
SCHEMBL19919747 0.87 METAP2 (0.34) CYP11B1CYP11B2XDHARMETAP2
SCHEMBL20925084 0.87 CYP11B1 (0.37) CYP11B1CYP11B2XDHARRXRA

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-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed