SCHEMBL10992140

SCHEMBL10992140

C=CCn1c(=O)ccc2cc(F)c([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GFER P55789 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
HIF1A Q16665 1/20 0.35
MAPT P10636 5/20 0.34
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
VCAM1 P19320 1/20 0.33
APOBEC3G Q9HC16 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
APOBEC3A P31941 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 3/20 0.32

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
SCHEMBL9837540 0.76 SHMT2 (0.42) CFTRALDH1A1GFERTDP1ATM
SCHEMBL10913762 0.75 MAPT (0.47) ALDH1A1TDP1ATMHIF1AMAPT
SCHEMBL3862000 0.75 HDAC1 (0.42) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL11003744 0.74 SHMT2 (0.39) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL31717475 0.73 GLS (0.38) CFTRALDH1A1GFERTDP1ATM
SCHEMBL4303327 0.70 CYP3A4 (0.36) CFTRALDH1A1TDP1MAPTMEN1
SCHEMBL1490111 0.68 BRPF1 (0.53) ALDH1A1GFERTDP1MAPTMEN1
SCHEMBL3857344 0.67 CYP3A4 (0.36) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9838652 0.67 SHMT2 (0.39) CFTRALDH1A1GFERTDP1MAPT
SCHEMBL8442790 0.67 CA12 (0.47) ALDH1A1MAPTPOLBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61194074-A None JP disclosed
JP-S61194074-A 7-AMINO-1-ALKYL-6-FLUOROQUINOLIN-2(1H)-ONE AND ITS PREPARATION SUMITOMO CHEM CO LTD 1986-08-28 JP disclosed