SCHEMBL7706750

SCHEMBL7706750

COc1cc2c3c(ccc(N)c3c1N)C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FGB P02675 1/20 0.42
THRB P10828 1/20 0.42
ADORA2A P29274 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PTPRC P08575 1/20 0.35

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
SCHEMBL7709779 0.77 MAPT (0.50) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL9797387 0.76 TYMS (0.48) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL16789874 0.75 CYP3A4 (0.43) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL29557279 0.70 CYP3A4 (0.53) MEN1KMT2APOLBCYP3A4TDP1
SCHEMBL2928543 0.70 CYP3A4 (0.53) MEN1KMT2APOLBCYP3A4TDP1
SCHEMBL15119616 0.69 CYP3A4 (0.42) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL10276282 0.69 MEN1 (0.45) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL12020815 0.68 CYP3A4 (0.38) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL7709620 0.68 LMNA (0.44) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL7709465 0.68 POLB (0.51) MEN1KMT2APOLBALDH1A1MAPT

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