SCHEMBL2597801

SCHEMBL2597801

CC(=O)Cl.Cc1cc(CC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
BLM P54132 2/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 3/20 0.43
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1829346 0.94 TSHR (0.58) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL14777639 0.94 TSHR (0.58) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL9550639 0.89 TSHR (0.58) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL29100214 0.86 TSHR (0.53) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL30641922 0.81 TSHR (0.58) TSHRSMN1; SMN2RAB9ANPC1BLM
SCHEMBL1492458 0.81 TSHR (0.58) TSHRSMN1; SMN2RAB9ANPC1BLM
SCHEMBL30764869 0.80 TSHR (0.53) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1
SCHEMBL1857263 0.80 CA2 (0.59) TSHRBLMALDH1A1LMNACYP1A2
SCHEMBL1865824 0.79 CASP6 (0.55) TSHRBLMMEN1KMT2AALDH1A1
SCHEMBL8790409 0.79 TSHR (0.55) TSHRL3MBTL1SMN1; SMN2RAB9ANPC1

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
EP-2571860-A1 2-PHENYL BENZOYLAMIDES Pfizer Inc (US) 2013-03-27 EP disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 WO disclosed