SCHEMBL16166459

SCHEMBL16166459

CC(C)(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 4/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.50
NR1I2 O75469 1/20 0.41
CYP2C8 P10632 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 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
SCHEMBL16175856 0.85 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL689308 0.78 SMN1; SMN2 (0.64) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL27967955 0.78 MAPT (0.53) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL1951448 0.77 MAPT (0.49) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL16175862 0.75 MAPT (0.54) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL16166660 0.75 MAPT (0.54) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL16166659 0.75 MAPT (0.54) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL13139938 0.75 SMN1; SMN2 (0.85) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL3072808 0.75 SMN1; SMN2 (0.80) MAPTSMN1; SMN2HTTKMT2APOLB
SCHEMBL3457084 0.75 POLB (0.61) SMN1; SMN2HTTKMT2APOLBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 WO disclosed
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 WO disclosed