SCHEMBL22562497

SCHEMBL22562497

FC(F)(F)c1ccc2c3ccccc3n(-c3cc(C(F)(F)F)c(-n4c5ccccc5c5ccc(C(F)(F)F)cc54)cc3-c3cccc(-c4ccccc4)n3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
MAT2A P31153 3/20 0.37
CYP11B2 P19099 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGER1 P34995 1/20 0.33
CTSS P25774 1/20 0.33
RAB9A P51151 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TOP1 P11387 2/20 0.33
ESR1 P03372 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 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
SCHEMBL22562498 0.97 MAT2A (0.39) KIF11MAT2ACYP11B2MEN1KMT2A
SCHEMBL22562490 0.94 KIF11 (0.36) KIF11CYP11B2MEN1KMT2ACTSS
SCHEMBL22562413 0.93 KIF11 (0.41) KIF11MAT2ACYP11B2MEN1KMT2A
SCHEMBL22562307 0.90 CYP11B2 (0.35) CYP11B2MEN1KMT2ARAB9AESR1
SCHEMBL22562410 0.89 MAT2A (0.39) KIF11MAT2ACYP11B2MEN1KMT2A
SCHEMBL22562343 0.88 CTSS (0.41) KIF11MAT2ACYP11B2CYP1A2CYP2C9
SCHEMBL22562492 0.87 CYP11B2 (0.40) CYP11B2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL22562491 0.86 CYP11B2 (0.38) CYP11B2MEN1KMT2ARAB9AESR1
SCHEMBL22562418 0.86 KIF11 (0.36) KIF11CYP11B2MEN1KMT2ACTSS
SCHEMBL22562306 0.85 CYP11B2 (0.35) CYP11B2MEN1KMT2ARAB9AESR1

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