SCHEMBL2597744

SCHEMBL2597744

Cc1c([N+](=O)[O-])ccc(C(C)(C(=O)O)C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
CASP6 P55212 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PGR P06401 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6597868 0.76 KMT2A (0.44) NPSR1ALDH1A1ARMEN1KMT2A
SCHEMBL15957683 0.75 AR (0.50) TSHRTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL30503599 0.75 TDP1 (0.71) TSHRTDP1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL9719281 0.75 TDP1 (0.71) TSHRTDP1SMN1; SMN2L3MBTL1MAPK1
SCHEMBL27847552 0.74 TDP1 (0.46) TDP1NPSR1L3MBTL1MAPK1ALDH1A1
SCHEMBL22655351 0.74 NPSR1 (0.43) TSHRNPSR1MAPK1RAB9ACASP6
SCHEMBL15957893 0.73 TDP1 (0.44) TSHRTDP1SMN1; SMN2MAPK1LMNA
SCHEMBL8482488 0.73 TSHR (0.46) TSHRTDP1NPSR1POLBL3MBTL1
SCHEMBL626732 0.73 GRIN2D (0.35) TSHRTDP1NPSR1POLBL3MBTL1
SCHEMBL15957703 0.72 TDP1 (0.43) TSHRTDP1SMN1; SMN2MAPK1LMNA

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-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed