SCHEMBL7146338

SCHEMBL7146338

CC(=O)Nc1cc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BRD4 O60885 8/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSV O60911 3/20 0.45
CTSL P07711 3/20 0.45
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MYC P01106 1/20 0.43

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
SCHEMBL7152141 0.92 CYP19A1 (0.54) CYP19A1ALDH1A1HPGDNPSR1BRD4
SCHEMBL7647773 0.89 CYP19A1 (0.60) CYP19A1ALDH1A1BRD4MAPTMEN1
SCHEMBL7597100 0.80 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1MAPTMEN1
SCHEMBL7647175 0.79 CYP19A1 (0.67) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL7650190 0.79 CYP19A1 (0.67) CYP19A1BRD4MAPTMEN1KMT2A
SCHEMBL11634119 0.75 PKM (0.65) CYP19A1ALDH1A1NPSR1BRD4MAPT
SCHEMBL31556186 0.75 PKM (0.65) CYP19A1ALDH1A1NPSR1BRD4MAPT
SCHEMBL7146345 0.75 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1MAPTMEN1
SCHEMBL7647567 0.74 NPC1 (0.42) ALDH1A1HPGDNPSR1MAPTMEN1
SCHEMBL8313884 0.73 CYP19A1 (0.53) CYP19A1ALDH1A1BRD4MAPTMEN1

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-6525219-B1 Chemical intermediates for cyan dye forming couplers; deblocking, hydrolysis, acylation EASTMAN KODAK COMPANY 2003-02-25 US disclosed