SCHEMBL22562298

SCHEMBL22562298

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(-c5cccc(-c6ccccc6)n5)cc(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4C(F)(F)F)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 4/20 0.34
TP53 P04637 1/20 0.33
METAP2 P50579 1/20 0.33
PDK2 Q15119 1/20 0.33
DHODH Q02127 2/20 0.33
SYK P43405 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL22562357 0.96 PDK2 (0.38) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562296 0.93 MEN1 (0.40) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562356 0.93 PDK2 (0.36) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562614 0.92 MEN1 (0.40) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562303 0.91 MEN1 (0.36) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562383 0.90 MEN1 (0.33) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562367 0.90 ADORA3 (0.39) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562379 0.88 MAPT (0.31) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562358 0.87 PDK2 (0.38) MEN1RAB9AKMT2AMAPTTP53
SCHEMBL22562369 0.87 ADORA3 (0.37) MEN1RAB9AKMT2AMAPTTP53

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed