SCHEMBL17347339

SCHEMBL17347339

CC(=O)c1cc(C)cc([N+](=O)O)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
NSD2 O96028 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ERN1 O75460 1/20 0.35
CSNK2A1 P68400 1/20 0.32
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL4132017 0.84 GPR35 (0.69) GPR35MEN1KMT2AMAPTKDM4E
SCHEMBL31392530 0.84 GPR35 (0.69) GPR35MEN1KMT2AMAPTKDM4E
SCHEMBL910132 0.80 KDM4E (0.47) GPR35MEN1KMT2AMAPTKDM4E
SCHEMBL18610015 0.76 TSHR (0.42) GPR35KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL471443 0.74 KDM4E (0.46) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL3659922 0.74 SELL (0.56) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL6175983 0.72 CSNK2A1 (0.50) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL11712068 0.71 AKR1C2 (0.46) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL3661233 0.71 KDM4E (0.54) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL909607 0.71 PLAU (0.50) MEN1KMT2AMAPTKDM4EPOLB

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
US-20150364311-A1 COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY MSTM, LLC 2015-12-17 US disclosed