SCHEMBL5151633

SCHEMBL5151633

Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
HTT P42858 4/20 0.58
LMNA P02545 4/20 0.58
MAPK1 P28482 2/20 0.58
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MYOC Q99972 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
FFAR1 O14842 1/20 0.52
SRD5A2 P31213 1/20 0.50
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL5151640 1.00 MAPT (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4686951 0.85 MEN1 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4686948 0.85 MEN1 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL5149592 0.84 MEN1 (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4689949 0.84 PYGL (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4689952 0.84 PYGL (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL4490833 0.84 ALDH1A1 (0.68) MAPTMEN1KMT2AHTTLMNA
SCHEMBL3271853 0.84 ALDH1A1 (0.68) MAPTMEN1KMT2AHTTLMNA
SCHEMBL21295538 0.82 RAF1 (0.58) MAPTMEN1KMT2ALMNAMAPK1
SCHEMBL31557883 0.80 MEN1 (0.60) MAPTMEN1KMT2AHTTMAPK1

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed