SCHEMBL7342180

SCHEMBL7342180

CCC(C)OC(=O)C(C(=O)O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3340978 0.86 KDM4E (0.46) ALDH1A1TDP1MAPTPOLBMAPK1
SCHEMBL6968035 0.85 SMN1; SMN2 (0.48) TP53HTTALDH1A1TDP1CYP3A4
SCHEMBL4482061 0.83 ALDH1A1 (0.46) HTTALDH1A1CYP3A4MAPTSMN1; SMN2
SCHEMBL4095909 0.81 ALDH1A1 (0.58) TP53HTTALDH1A1TDP1CYP3A4
SCHEMBL4095907 0.81 ALDH1A1 (0.58) TP53HTTALDH1A1TDP1CYP3A4
SCHEMBL7342175 0.80 SMN1; SMN2 (0.50) TP53HTTALDH1A1TDP1CYP3A4
SCHEMBL4279302 0.80 MAPT (0.43) ALDH1A1MAPTKDM4EKMT2A
SCHEMBL11669455 0.79 TP53 (0.51) TP53HTTALDH1A1TDP1CYP3A4
SCHEMBL14915380 0.79 HTT (0.43) HTTALDH1A1TDP1CYP3A4POLB
SCHEMBL2616867 0.77 ALDH1A1 (0.51) TP53HTTALDH1A1TDP1CYP3A4

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-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 US disclosed