SCHEMBL2228271

SCHEMBL2228271

N#Cc1cc(C(=N)NO)cc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.39
MRGPRX4 Q96LA9 5/20 0.37
S1PR3 Q99500 1/20 0.36
MEP1B Q16820 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
TTR P02766 2/20 0.33
MEN1 O00255 1/20 0.33
ALB P02768 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
NSD2 O96028 1/20 0.33
G6PD P11413 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL2511327 0.83 MRGPRX4 (0.45) GPR35MRGPRX4XDHSLC22A12
SCHEMBL2170685 0.79 MRGPRX4 (0.49) GPR35MRGPRX4XDHSLC22A12EGLN2
SCHEMBL1421486 0.77 VNN1 (0.39)
SCHEMBL2228843 0.77 HCAR1 (0.52) TTR
SCHEMBL2228769 0.76 RXRA (0.45) MEN1KMT2A
SCHEMBL30300320 0.74 POLB (0.42) GPR35MRGPRX4XDHSLC22A12TTR
SCHEMBL5222297 0.74 POLB (0.42) GPR35MRGPRX4XDHSLC22A12TTR
SCHEMBL4788616 0.74 KDM4E (0.46) GPR35MRGPRX4XDHEGLN2
SCHEMBL31455773 0.74 KDM4E (0.46) GPR35MRGPRX4XDHEGLN2
SCHEMBL2224262 0.72 RXRA (0.45) MEP1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed