SCHEMBL9358690

SCHEMBL9358690

CC(=CC(=O)O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 3/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
GPR35 Q9HC97 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL16971053 0.85 ALDH1A1 (0.50) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9551017 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2TP53
SCHEMBL28713222 0.84 KMT2A (0.47) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9358824 0.83 SLC22A12 (0.48) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3024537 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL3024541 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL3024539 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL30737471 0.80 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1ERN1ALDH1A1
SCHEMBL719391 0.80 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1ERN1ALDH1A1
SCHEMBL129889 0.79 ALDH1A1 (0.69) L3MBTL1KMT2AMEN1ERN1ALDH1A1

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
EP-0489836-B1 LIGHT ACTIVATED ACYL-ENZYMES UNIV DUKE (US) 1994-12-21 EP disclosed
US-5218137-A Chemical light amplifiers DUKE UNIVERSITY (US) 1993-06-08 US disclosed
US-5114851-A Serine- or cysteine-containing protease modified by nucleophilic cinnamic acid; photoisomerization; biological switches; medical diagnosis DUKE UNIVERSITY (US) 1992-05-19 US disclosed