SCHEMBL19909007

SCHEMBL19909007

Cc1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(C#N)c(-c5cc(C)nc(C)c5)cc4-n4c5cc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc5c5ccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)cc54)c3c2)cc(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
AR P10275 2/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
XDH P47989 2/20 0.33
GRM2 Q14416 1/20 0.31
SYK P43405 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EIF4EBP1 Q13541 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL19919747 1.00 METAP2 (0.34) METAP2ARCYP11B1CYP11B2XDH
SCHEMBL19913252 0.93 METAP2 (0.34) METAP2ARCYP11B1CYP11B2XDH
SCHEMBL22170304 0.91 XDH (0.34) METAP2ARCYP11B1CYP11B2XDH
SCHEMBL19919645 0.89 METAP2 (0.36) METAP2ARCYP11B1CYP11B2XDH
SCHEMBL19913254 0.89 AR (0.34) METAP2ARCYP11B1CYP11B2XDH
SCHEMBL19919637 0.89 KDM5B (0.35) METAP2CYP11B1CYP11B2
SCHEMBL20925084 0.89 CYP11B1 (0.37) ARCYP11B1CYP11B2XDHRXRA
SCHEMBL19917957 0.88 AR (0.36) ARCYP11B1CYP11B2XDHRXRA
SCHEMBL19909386 0.88 CYP11B1 (0.35) ARCYP11B1CYP11B2XDHGRM2
SCHEMBL22563410 0.87 CYP11B1 (0.34) METAP2ARCYP11B1CYP11B2XDH

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-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed