SCHEMBL22562449

SCHEMBL22562449

FC(F)(F)c1cc(-c2ccc3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4n(-c4cc(-c5cccc(-c6ccccc6)n5)c(C(F)(F)F)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 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.37
RAB9A P51151 2/20 0.33
CTSS P25774 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TOP1 P11387 1/20 0.33
METAP2 P50579 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ICMT O60725 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
LDHA P00338 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
SCHEMBL22562290 0.92 CYP11B2 (0.41) CYP11B2RAB9AMEN1KMT2ALDHA
SCHEMBL22562588 0.92 CYP11B2 (0.37) CYP11B2RAB9ACTSSMEN1KMT2A
SCHEMBL22562410 0.89 MAT2A (0.39) CYP11B2RAB9ACTSSMEN1KMT2A
SCHEMBL22562581 0.87 CTSS (0.41) CYP11B2CTSSGRIN1GRIN2BSMN1; SMN2
SCHEMBL22562413 0.86 KIF11 (0.41) CYP11B2RAB9ACTSSMEN1KMT2A
SCHEMBL22562618 0.86 ALDH1A3 (0.37) CYP11B2CTSSTDP1PGRKDM4E
SCHEMBL22562450 0.86 ALOX5AP (0.37) CYP11B2MEN1KMT2ATOP1NPC1
SCHEMBL22562311 0.86 KIF11 (0.42) CYP11B2TDP1KDM4EALDH1A1
SCHEMBL22562492 0.85 CYP11B2 (0.40) CYP11B2RAB9AMEN1KMT2ALDHA
SCHEMBL22562626 0.84 AR (0.39) CYP11B2RAB9AMEN1KMT2AMETAP2

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