SCHEMBL28060072

SCHEMBL28060072

CCOS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
ALDH1A1 P00352 9/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL14747747 0.84 ALDH1A1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1CYP3A4
SCHEMBL11888407 0.81 LMNA (0.52) MEN1KMT2AALDH1A1HTTMAPK1
SCHEMBL27973770 0.80 MCOLN3 (0.55) MEN1KMT2AL3MBTL1MCOLN3CRHBP
SCHEMBL11515112 0.80 ALDH3A1 (0.56) L3MBTL1ALDH1A1MAPK1MAPTPKM
SCHEMBL11380564 0.78 ALDH1A1 (0.53) MEN1KMT2AL3MBTL1MCOLN3CRHBP
SCHEMBL994972 0.76 MCOLN3 (0.58) MEN1KMT2AMCOLN3CRHBPCRHR2
SCHEMBL10700954 0.76 MCOLN3 (0.58) MEN1KMT2AMCOLN3CRHBPCRHR2
SCHEMBL29397077 0.76 MCOLN3 (0.58) MEN1KMT2AMCOLN3CRHBPCRHR2
SCHEMBL28211544 0.76 KMT2A (0.38) KMT2AALDH1A1TSHRHTTMAPT
SCHEMBL10587332 0.76 HTT (0.43) MEN1KMT2AALDH1A1CYP3A4TSHR

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
CN-105473574-B Somatostatin receptor subtype 4(SSTR4) agonists 森特克森治疗公司 2018-02-13 CN disclosed
CN-105473574-A Novel somatostatin receptor subtype 4(SSTR4) agonists BOEHRINGER INGELHEIM INT 2016-04-06 CN disclosed