SCHEMBL5313362

SCHEMBL5313362

O=C1[N]c2cc(C(F)(F)F)c(-c3cc(C(F)(F)F)ccc3O)cc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TOP2A P11388 1/20 0.35
TMPRSS4 Q9NRS4 1/20 0.34
NFKB1 P19838 3/20 0.33
CES2 O00748 2/20 0.33
BIRC5 O15392 2/20 0.33
HSP90AA1 P07900 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KCNMA1 Q12791 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 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
SCHEMBL5045425 0.86 TMPRSS4 (0.39) MEN1KMT2ATMPRSS4BIRC5CYP1A2
SCHEMBL4752992 0.76 KIF11 (0.41) KMT2ANFKB1PARP1TDP2JUN
SCHEMBL6222347 0.76 KIF11 (0.41) KMT2ANFKB1PARP1TDP2JUN
SCHEMBL4750486 0.75 GRM2 (0.42) MEN1KMT2ANFKB1PARP1TDP2
SCHEMBL6218531 0.66 HTR2C (0.39) MEN1KMT2ACYP1A2NOTUM
SCHEMBL1765579 0.63 HSD17B10 (0.49) MEN1KMT2ATOP2AHSP90AA1CYP1A2
SCHEMBL863774 0.62 CES2 (0.55) MEN1KMT2ATMPRSS4NFKB1CES2
SCHEMBL2429783 0.62 JUN (0.44) KMT2ANFKB1PARP1PARP10TDP2
SCHEMBL5194204 0.61 TDP2 (0.59) MEN1KMT2ANFKB1CYP3A4PARP1
SCHEMBL31586640 0.61 TDP2 (0.59) MEN1KMT2ANFKB1CYP3A4PARP1

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
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed