SCHEMBL22562415

SCHEMBL22562415

FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1cc(-c2cccc(-c3ccccc3)n2)c(C(F)(F)F)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3B P49841 1/20 0.36
CTSS P25774 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
TOP1 P11387 2/20 0.35
DHODH Q02127 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 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
TRPV3 Q8NET8 2/20 0.34
CYP2C9 P11712 3/20 0.33
SCN9A Q15858 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL22562418 0.97 KIF11 (0.36) CYP11B2RAB9AMEN1KMT2ACDK2
SCHEMBL22562613 0.93 ALOX5AP (0.39) CYP11B2CDK2GSK3BTOP1TRPV3
SCHEMBL22562410 0.91 MAT2A (0.39) CYP11B2RAB9AMEN1KMT2ACDK2
SCHEMBL22562458 0.91 TRPV1 (0.35) CYP11B2RAB9AMEN1KMT2AGSK3B
SCHEMBL22562413 0.90 KIF11 (0.41) CYP11B2RAB9AMEN1KMT2ACDK2
SCHEMBL22562589 0.90 ALOX5AP (0.37) CYP11B2MEN1KMT2ACDK2GSK3B
SCHEMBL22562588 0.89 CYP11B2 (0.37) CYP11B2RAB9AMEN1KMT2ACDK2
SCHEMBL22562490 0.89 KIF11 (0.36) CYP11B2RAB9AMEN1KMT2ACDK2
SCHEMBL22562594 0.88 ALDH1A1 (0.37) CYP11B2RAB9AMEN1KMT2AMAPT
SCHEMBL22562292 0.87 CYP11B2 (0.39) CYP11B2RAB9AMEN1KMT2ACDK2

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