SCHEMBL7146345

SCHEMBL7146345

CC(C)(C)c1ccc(Oc2cc(NC(=O)COCc3ccccc3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PTPRC P08575 1/20 0.45
PTPN1 P18031 1/20 0.45
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
NPC1 O15118 5/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL7152145 0.92 SMN1; SMN2 (0.45) ALDH1A1HPGDPTPRCPTPN1RAB9A
SCHEMBL7146343 0.91 ALDH1A1 (0.46) ALDH1A1HPGDNPSR1RAB9ASMN1; SMN2
SCHEMBL7647777 0.90 SMN1; SMN2 (0.50) ALDH1A1HPGDPTPRCPTPN1RAB9A
SCHEMBL7152143 0.83 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1RAB9ASMN1; SMN2
SCHEMBL7647775 0.80 ALDH1A1 (0.50) ALDH1A1HPGDRAB9ASMN1; SMN2HIF1A
SCHEMBL7650201 0.77 ALDH1A1 (0.57) ALDH1A1HPGDPTPRCPTPN1RAB9A
SCHEMBL7647179 0.77 PTPRC (0.55) ALDH1A1HPGDPTPRCPTPN1RAB9A
SCHEMBL7146338 0.75 CYP19A1 (0.57) ALDH1A1HPGDNPSR1RAB9ANPC1
SCHEMBL17652742 0.73 ALDH1A1 (0.45) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3737972 0.73 MEN1 (0.56) ALDH1A1NPSR1RAB9ASMN1; SMN2NPC1

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