SCHEMBL9162251

SCHEMBL9162251

NC(=O)c1cc(F)c(F)cc1C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.47
▸ HDAC6 Q9UBN7 7/20 0.47
▸ DGAT1 O75907 1/20 0.46
▸ ROCK2 O75116 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ MAP2K2 P36507 2/20 0.34
▸ MAP2K1 Q02750 2/20 0.34

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
SCHEMBL7457806 0.82 GAA (0.50) DGAT1ROCK2POLBAPEX1GAA
SCHEMBL28869675 0.80 HDAC6 (0.47) HDAC1HDAC6DGAT1POLBAPEX1
SCHEMBL27877878 0.79 LCK (0.38) HDAC1HDAC6DGAT1GAAKDM4E
SCHEMBL9853614 0.76 KEAP1 (0.45) DGAT1ROCK2POLBAPEX1GAA
SCHEMBL2323641 0.75 DGAT1 (0.54) DGAT1ROCK2KDM4EPARP1HPGD
SCHEMBL811340 0.74 DGAT1 (0.58) DGAT1ROCK2KDM4EPARP1HPGD
Ammonia Solution, Strong SCHEMBL10949233 0.74 KEAP1 (0.44) DGAT1ROCK2POLBAPEX1KDM4E
SCHEMBL3344303 0.74 DGAT1 (0.53) DGAT1ROCK2PARP1PLAUMAPK8
SCHEMBL25060909 0.74 GAA (0.50) HDAC1HDAC6GAAKDM4EMPO
Hydrochloric Acid SCHEMBL29810612 0.73 DGAT1 (0.52) DGAT1ROCK2KDM4EPARP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5436368-A Intermediates in the preparation of 4,5-difluoroanthranillic acid PFIZER INC. (US) 1995-07-25 — — US disclosed
EP-0555283-B1 INTERMEDIATES IN THE PREPARATION OF 4,5-DIFLUOROANTHRANILIC ACID PFIZER (US) 1995-04-05 — — EP disclosed
EP-0555283-A1 INTERMEDIATES IN THE PREPARATION OF 4,5-DIFLUOROANTHRANILIC ACID. PFIZER (US) 1993-08-18 — — EP disclosed
WO-1992007822-A1 INTERMEDIATES IN THE PREPARATION OF 4,5-DIFLUOROANTHRANILIC ACID PFIZER INC. (US) 1992-05-14 — — WO disclosed
Send feedback