SCHEMBL22562230

SCHEMBL22562230

Cc1ccc2c3ccc(C)cc3n(-c3cc(C(F)(F)F)cc(-n4c5cc(C)ccc5c5ccc(C)cc54)c3-c3cccc(-c4ccccc4)n3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GSK3B P49841 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
NR1I2 O75469 1/20 0.35
EGFR P00533 1/20 0.35
ADRA2A P08913 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRD1 P41143 1/20 0.35
PDE4D Q08499 1/20 0.35
MAPT P10636 3/20 0.35
MAT2A P31153 2/20 0.35
KDM1A O60341 1/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL22562231 0.97 KIF11 (0.36) RAB9AMEN1KMT2AGSK3BADORA3
SCHEMBL22562232 0.90 GSK3B (0.35) RAB9AMEN1KMT2AGSK3BMAPT
SCHEMBL22562402 0.90 MAPT (0.35) RAB9AMEN1KMT2AGSK3BMAPT
SCHEMBL22562227 0.90 MAPT (0.36) MEN1KMT2AMAPTKIF11DHODH
SCHEMBL22562405 0.90 MAT2A (0.41) RAB9AMEN1KMT2AMAPTMAT2A
SCHEMBL22562404 0.89 PDK2 (0.34) RAB9AMEN1KMT2AGSK3BMAPT
SCHEMBL22562469 0.88 RAB9A (0.38) RAB9AMEN1KMT2AMAPTMAT2A
SCHEMBL22562472 0.88 GSK3B (0.35) RAB9AMEN1KMT2AGSK3BMAPT
SCHEMBL22562234 0.86 MAPT (0.38) RAB9AMEN1KMT2AGSK3BMAPT
SCHEMBL22562609 0.85 RAB9A (0.36) RAB9AMEN1KMT2AMAPTMAT2A

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