SCHEMBL8664870

SCHEMBL8664870

O=C1OC(=O)c2c(F)ccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSL P07711 1/20 0.31
PTPRC P08575 1/20 0.31
CTSS P25774 1/20 0.31
PTPN13 Q12923 1/20 0.31

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
SCHEMBL4076284 0.76 NOS2 (0.38) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL581013 0.73 ALOX15 (0.41) TDP1CES1MEN1KMT2AALDH1A1
SCHEMBL29476089 0.73 ALOX15 (0.41) TDP1CES1MEN1KMT2AALDH1A1
SCHEMBL3677765 0.72 PABPC1 (0.33) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL310818 0.70 ALDH1A1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL7483193 0.67 ALOX15 (0.32) TDP1ALDH1A1ALOX15
SCHEMBL7817043 0.66 ALDH1A1 (0.45) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL27887930 0.65 HTR2B (0.40) TDP1KMT2APDE3BPDE3AALOX15
SCHEMBL311088 0.64 TDP2 (0.58) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL263099 0.64 ALOX15 (0.50) TDP1CES1ALOX15

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-5840904-A Fluoro-pyridine-2,3-dicarboxylic anhydrides which are intermediates for herbicidal pyridine-2,3-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed