SCHEMBL22562404

SCHEMBL22562404

Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4n(-c4cc(C(F)(F)F)cc(-n5c6cc(-c7cc(C)cc(C)c7)ccc6c6ccc(-c7cc(C)cc(C)c7)cc65)c4-c4cccc(-c5ccccc5)n4)c3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
GSK3B P49841 2/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
MAT2A P31153 2/20 0.33
MAPT P10636 1/20 0.33
DHODH Q02127 1/20 0.33
TRPV3 Q8NET8 4/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM1A O60341 1/20 0.32
METAP2 P50579 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
SCHEMBL22562474 0.92 GSK3B (0.35) PDK2GSK3BMEN1RAB9AKMT2A
SCHEMBL22562469 0.91 RAB9A (0.38) PDK2MEN1RAB9AKMT2AMAT2A
SCHEMBL22562472 0.91 GSK3B (0.35) GSK3BMEN1RAB9AKMT2AFLT1
SCHEMBL22562227 0.90 MAPT (0.36) PDK2MEN1KMT2AMAPTDHODH
SCHEMBL22562230 0.89 RAB9A (0.36) GSK3BMEN1RAB9AKMT2AMAT2A
SCHEMBL22562609 0.88 RAB9A (0.36) MEN1RAB9AKMT2AMAT2AMAPT
SCHEMBL22562473 0.88 GSK3B (0.33) GSK3BMEN1RAB9AKMT2AFLT1
SCHEMBL22562345 0.87 PDK2 (0.39) PDK2GSK3BMEN1RAB9AKMT2A
SCHEMBL22562298 0.86 MEN1 (0.36) PDK2MEN1RAB9AKMT2AMAPT
SCHEMBL22562405 0.86 MAT2A (0.41) MEN1RAB9AKMT2AMAT2AMAPT

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