SCHEMBL7703708

SCHEMBL7703708

C=CCON1C(=O)c2ccc(Cl)c3c(N4CCCC4)cc(Cl)c(c23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A3 P47895 1/20 0.33
NSD2 O96028 1/20 0.32
TERT O14746 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
AVPR1A P37288 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7706801 0.85 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL7703705 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACRHBPMAPK1
SCHEMBL8578190 0.81 TDP1 (0.44) MEN1KMT2AMAPK1TDP1NSD2
SCHEMBL7706698 0.75 MAPT (0.44) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL7706701 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ACRHBPMAPK1
SCHEMBL7709710 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ACRHBPMAPK1
SCHEMBL7709667 0.65 MAPT (0.42) ALDH1A1MEN1KMT2ATDP1ALDH1A3
SCHEMBL8578909 0.65 TDP1 (0.53) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL1715729 0.64 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL30767916 0.64 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBMAPT

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