SCHEMBL5050889

SCHEMBL5050889

N#[N+]c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
CA7 P43166 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
SCHEMBL18758 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL6916181 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL29359975 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL29594563 0.81 KDM4E (0.68) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL109690 0.79 TSHR (0.60) ALDH1A1TSHRTP53CA12CA1
Potassium SCHEMBL9719670 0.79 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL11658600 0.79 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2
SCHEMBL20942846 0.79 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2
Hydrochloric Acid SCHEMBL945629 0.79 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2
Bromide SCHEMBL8758652 0.79 KDM4E (0.65) KDM4EPTPN1ALDH1A1HPGDENPP2

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
WO-2008062216-A1 ELECTRODE ISIS INNOVATION LIMITED (GB) 2008-05-29 WO disclosed