SCHEMBL8902192

SCHEMBL8902192

C[C@H]1O[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)CC2=C1C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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 1.00 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8903952 0.90 TDP1 (0.44) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8902384 0.87 HTT (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8902582 0.87 HTT (0.42) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8901784 0.83 TDP1 (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8901723 0.80 ALDH1A1 (0.45) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8901788 0.76 MAPT (0.37) TDP1ATMMAPT
SCHEMBL8901763 0.70 HTT (0.46) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL8903509 0.68 TDP1 (0.47) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL18318470 0.68 TDP1 (0.51) TDP1ATMALDH1A1MAPTHPGD

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 3 patents. 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 claimed
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed