SCHEMBL8417009

SCHEMBL8417009

Cc1ccc(CO)cc1NC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
CYP3A4 P08684 2/20 0.60
MAPT P10636 1/20 0.60
CYP2C19 P33261 1/20 0.60
THRA P10827 1/20 0.59
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.54
PTGES O14684 1/20 0.54
POLB P06746 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
HPGD P15428 1/20 0.54
CYP2D6 P10635 1/20 0.53

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
SCHEMBL24233277 0.85 SMN1; SMN2 (0.70) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL28012109 0.82 KMT2A (0.68) KMT2AMEN1CYP3A4MAPTCYP2C19
SCHEMBL6779077 0.81 KMT2A (0.70) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL4833664 0.80 HTT (0.62) KMT2AMEN1CYP3A4MAPTHTT
SCHEMBL8870819 0.79 RAB9A (0.64) KMT2AMEN1CYP3A4MAPTCYP2C19
SCHEMBL6396133 0.78 KMT2A (0.85) KMT2AMEN1CYP3A4MAPTHTT
SCHEMBL30205486 0.78 ALOX5 (0.69) KMT2AMEN1CYP3A4MAPTCYP2C19
SCHEMBL6476104 0.77 MAPK14 (0.70) KMT2AMEN1CYP3A4MAPTNPC1
SCHEMBL14075256 0.76 KMT2A (0.62) KMT2AMEN1CYP3A4MAPTCYP2C19
SCHEMBL6476512 0.76 HTT (0.74) KMT2ACYP3A4MAPTHTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791004-B1 ACYLATED BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PROD (US) 1999-09-08 EP disclosed
US-5773420-A Acylated benzylglycosides as inhibitors of smooth muscle cell proliferation AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-30 US disclosed
EP-0791004-A1 ACYLATED BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-08-27 EP disclosed
WO-1996014325-A1 ACYLATED BENZYLGLYCOSIDES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-17 WO disclosed