SCHEMBL7152141

SCHEMBL7152141

CCC(C)(C)c1ccc(Oc2cc(NC(C)=O)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
BRD4 O60885 8/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7146338 0.92 CYP19A1 (0.57) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7647773 0.87 CYP19A1 (0.60) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7647567 0.83 NPC1 (0.42) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL7600603 0.81 MEN1 (0.47) MAPTMEN1KMT2ACTSVCTSL
SCHEMBL7650190 0.77 CYP19A1 (0.67) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7647175 0.77 CYP19A1 (0.67) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7152145 0.76 SMN1; SMN2 (0.45) MAPTMEN1KMT2APKML3MBTL1
SCHEMBL11634119 0.73 PKM (0.65) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL31556186 0.73 PKM (0.65) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7152143 0.73 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1HPGD

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
US-6525219-B1 Chemical intermediates for cyan dye forming couplers; deblocking, hydrolysis, acylation EASTMAN KODAK COMPANY 2003-02-25 US disclosed
US-6482953-B1 2-benzyloxy-4-nitro-5-substituted-acylanilide compounds and method of using them EASTMAN KODAK COMPANY 2002-11-19 US disclosed