SCHEMBL8901788

SCHEMBL8901788

O=C1C2=C(C(=O)c3cc4ccccc4cc31)C(Cc1ccc([N+](=O)[O-])cc1)OC(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CACNA1G O43497 2/20 0.36
HTT P42858 1/20 0.35
MMP2 P08253 1/20 0.35
DRD4 P21917 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
VCP P55072 1/20 0.34
TERT O14746 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL8901768 0.76 TDP1 (0.44) MAPTTDP1ATM
SCHEMBL8902192 0.76 TDP1 (0.44) MAPTTDP1ATM
SCHEMBL8901784 0.71 TDP1 (0.46) MAPTHTTTDP1ATM
SCHEMBL8903959 0.70 CYP1A2 (0.35) MAPTCACNA1GHTTDRD4TERT
SCHEMBL8901821 0.66 L3MBTL1 (0.39) MAPTHTT
SCHEMBL9755756 0.66 SMN1; SMN2 (0.40) MAPTHTT
SCHEMBL8902603 0.64 AKT1 (0.36) MAPTTDP1
SCHEMBL27861034 0.58 LOXL2 (0.48)
SCHEMBL8543345 0.58 TSHR (0.50) MAPT
Bicarbonate SCHEMBL30096531 0.57 ALDH1A1 (0.64) MAPTTDP1

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-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed