SCHEMBL14852159

SCHEMBL14852159

CON(C)C(=O)c1ccc([N+](=O)[O-])c(Nc2cccc(Br)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
MAPT P10636 5/20 0.46
AKR1C4 P17516 4/20 0.46
AKR1C1 Q04828 4/20 0.46
HPGD P15428 2/20 0.46
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
EGFR P00533 5/20 0.43
FBP1 P09467 2/20 0.41
AR P10275 1/20 0.41
HCAR3 P49019 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL14852201 0.85 AKR1C4 (0.61) AKR1C3AKR1C2MAPTAKR1C4AKR1C1
SCHEMBL14852282 0.79 MAPT (0.46) AKR1C3AKR1C2MAPTAKR1C4AKR1C1
SCHEMBL8233274 0.77 MAPT (0.61) AKR1C3AKR1C2MAPTAKR1C4AKR1C1
SCHEMBL18153017 0.76 MAPT (0.48) MAPTHPGDHCAR3MEN1KMT2A
SCHEMBL14852054 0.76 MAPT (0.55) AKR1C3AKR1C2MAPTARMEN1
SCHEMBL14852150 0.75 ALDH1A1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4833667 0.75 CASP6 (0.56) MAPTHPGDHCAR3MEN1KMT2A
SCHEMBL14852049 0.75 CREBBP (0.40) AKR1C3AKR1C2MAPTAKR1C4AKR1C1
SCHEMBL31144747 0.74 AKR1C3 (0.52) AKR1C3AKR1C2MAPTAKR1C4AKR1C1
SCHEMBL1668165 0.74 HCAR3 (0.59) AKR1C3AKR1C2MAPTAKR1C4AKR1C1

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-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed