SCHEMBL7703372

SCHEMBL7703372

O=Cc1c(O)cc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.46
ERN1 O75460 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LCK P06239 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
PADI4 Q9UM07 1/20 0.36
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 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
SCHEMBL7709692 0.80 TYMS (0.51) TYMSALDH1A1MAPTTHRBALOX15
SCHEMBL7706407 0.79 MAPT (0.51) ERN1ALDH1A1LCKGLAMAPT
SCHEMBL10832427 0.78 KMT2A (0.50) ERN1ALDH1A1LCKGLAMAPT
SCHEMBL7703859 0.78 TYMS (0.49) TYMSMAPTTHRBALOX15TDP1
SCHEMBL7709815 0.77 TYMS (0.45) TYMSALDH1A1MAPTALOX15TDP1
SCHEMBL30608351 0.74 TYMS (0.61) TYMSALDH1A1MAPTTHRBALOX15
SCHEMBL4533766 0.74 TYMS (0.61) TYMSALDH1A1MAPTTHRBALOX15
SCHEMBL7709458 0.73 MEN1 (0.57) TYMSALDH1A1MAPT
SCHEMBL29836499 0.71 TYMS (0.49) TYMSALDH1A1MAPTTHRBALOX15
SCHEMBL7709537 0.71 TYMS (0.49) TYMSERN1ALOX15TDP1

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-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed