SCHEMBL7054751

SCHEMBL7054751

O=C1Nc2cc(C(F)(F)F)c(Br)cc2C(=O)C1=NOC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
F2 P00734 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.35
NOTUM Q6P988 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
EPHX1 P07099 1/20 0.33
HSP90AA1 P07900 2/20 0.33
PDK2 Q15119 1/20 0.33
GALR3 O60755 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 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
SCHEMBL7050444 0.92 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054941 0.88 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7049532 0.88 KMT2A (0.43) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7050457 0.88 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7055737 0.84 CES1 (0.38) NOTUMCCNB2CDK1CCNB1CCNB3
SCHEMBL7054714 0.80 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7054176 0.79 KMT2A (0.38) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7051756 0.79 KMT2A (0.35) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7052947 0.79 KMT2A (0.43) KMT2AHPGDALDH1A1F2ATM
SCHEMBL7051552 0.79 CES1 (0.47) KMT2AHPGDALDH1A1F2ATM

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 3 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
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed