SCHEMBL11264007

SCHEMBL11264007

CCc1nc(CC(=O)O)cc2c([N+](=O)[O-])cccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
FBP1 P09467 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
APEX1 P27695 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MAPT P10636 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
SCHEMBL11252988 0.79 PARP1 (0.40) TDP1SMN1; SMN2POLBMAPT
SCHEMBL11262689 0.76 TDP1 (0.44) ALDH1A1TDP1SMN1; SMN2CYP1A2POLB
SCHEMBL5657561 0.73 TDP1 (0.49) ALDH1A1FBP1TDP1SMN1; SMN2POLB
SCHEMBL27648083 0.73 ALDH1A1 (0.57) ALDH1A1TDP1APEX1SMN1; SMN2MAPK1
SCHEMBL4270672 0.69 TDP1 (0.60) ALDH1A1FBP1TDP1CYP1A2TSHR
SCHEMBL8172704 0.69 FBP1 (0.49) ALDH1A1FBP1TDP1SMN1; SMN2CYP1A2
SCHEMBL3535123 0.68 GPR35 (0.54) ALDH1A1FBP1TDP1APEX1CYP1A2
SCHEMBL9608361 0.68 ALDH1A1 (0.47) ALDH1A1FBP1TDP1APEX1CYP1A2
SCHEMBL17224000 0.66 TDP1 (0.42) ALDH1A1FBP1TDP1APEX1CYP1A2
Alcohol SCHEMBL27961237 0.66 ALDH1A1 (0.79) ALDH1A1TDP1MEN1KMT2ATSHR

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-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US disclosed