SCHEMBL7919799

SCHEMBL7919799

Cc1ccc(Sc2cc([N+](=O)[O-])ccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.60
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.51
TBXA2R P21731 1/20 0.51
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE7A Q13946 1/20 0.46
CRHBP P24387 1/20 0.44
CASP3 P42574 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL7920060 0.87 PDE7A (0.60) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL7921377 0.85 GAA (0.54) PTGESMEN1KMT2APOLBGAA
SCHEMBL23879982 0.81 MAPT (0.58) PTGESMEN1KMT2AGAAALDH1A1
SCHEMBL2728411 0.79 ALDH1A1 (0.58) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL5240597 0.79 ALDH1A1 (0.62) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL4543187 0.78 KDM4E (0.53) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL19969740 0.77 ALDH1A1 (0.60) MEN1KMT2APOLBALDH1A1CYP3A4
SCHEMBL11156793 0.77 ALDH1A1 (0.44) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL2963062 0.77 LMNA (0.64) MEN1KMT2APOLBGAAALDH1A1
SCHEMBL8380180 0.76 ALDH1A1 (0.58) MEN1KMT2AALDH1A1CYP3A4ALOX15

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-6291442-B1 Pharmacological modulators of voltage-gated potassium ion channels THE GENERAL HOSPITAL CORPORATION 2001-09-18 US disclosed