SCHEMBL7709648

SCHEMBL7709648

COc1c(F)cc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.45
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
SMARCA2 P51531 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PRMT1 Q99873 1/20 0.37
MAOA P21397 2/20 0.35
PTGES O14684 1/20 0.35
CTSV O60911 1/20 0.35
CYP1A1 P04798 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
SCHEMBL7709465 0.83 POLB (0.51) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL7709537 0.76 TYMS (0.49) TYMSALOX15TDP1
SCHEMBL4959190 0.73 TYMS (0.61) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL30761754 0.72 KMT2A (0.76) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL6548245 0.72 KMT2A (0.76) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL9079018 0.72 KMT2A (0.49) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL9080103 0.71 ALOX5 (0.44) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL7706740 0.70 KMT2A (0.47) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL7709692 0.69 TYMS (0.51) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL14380347 0.69 TYMS (0.51) TYMSPOLBKMT2AMEN1KDM4E

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