SCHEMBL7054322

SCHEMBL7054322

O=C1Nc2cc(C(F)(F)F)cc(Cl)c2C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
GALR3 O60755 1/20 0.35
CES1 P23141 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TGM2 P21980 1/20 0.33
KDR P35968 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7054180 0.93 HPGD (0.37) HPGDGLAMAPTGAACYP2C9
SCHEMBL7048288 0.88 KMT2A (0.36) HPGDMAPTGAACYP2C9KMT2A
SCHEMBL7051756 0.88 KMT2A (0.35) HPGDMAPTGAACYP2C9KMT2A
SCHEMBL7051548 0.87 CES1 (0.48) HPGDMAPTGAACYP2C9KMT2A
SCHEMBL7050452 0.84 CES1 (0.38) MAPTALDH1A1MAPK1GALR3CES1
SCHEMBL7050411 0.83 KMT2A (0.37) HPGDMAPTKMT2AALDH1A1F2
SCHEMBL7053797 0.82 KMT2A (0.36) HPGDMAPTGAACYP2C9KMT2A
SCHEMBL7051808 0.82 CES1 (0.36) HPGDMAPTGAACYP2C9KMT2A
SCHEMBL7051654 0.81 KMT2A (0.39) HPGDMAPTGAACYP2C9CYP2C19
SCHEMBL7051535 0.80 CES1 (0.48) HPGDMAPTGAACYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
EP-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-12-08 WO disclosed