SCHEMBL8901784

SCHEMBL8901784

O=C1C2=C(CC(C(=O)OCc3ccc([N+](=O)[O-])cc3)OC2)C(=O)c2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 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
SCHEMBL8903952 0.84 TDP1 (0.44) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL8901768 0.83 TDP1 (0.44) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL8902192 0.83 TDP1 (0.44) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL8903509 0.81 TDP1 (0.47) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL18318470 0.79 TDP1 (0.51) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL9755756 0.73 SMN1; SMN2 (0.40) ALDH1A1MAPTHPGDPOLBSMN1; SMN2
SCHEMBL8901788 0.71 MAPT (0.37) TDP1ATMMAPTHTT
SCHEMBL8901817 0.71 HTT (0.48) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL8902384 0.70 HTT (0.42) TDP1ATMRAB9AALDH1A1MAPT
SCHEMBL8902582 0.70 HTT (0.42) TDP1ATMRAB9AALDH1A1MAPT

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