SCHEMBL7703774

SCHEMBL7703774

Cc1cc2c3c(cccc3c1)C(=O)N(OCc1ccccc1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 1/20 0.47
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CLTC Q00610 2/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
CYP1B1 Q16678 2/20 0.42
MPO P05164 1/20 0.40

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
SCHEMBL7703791 0.87 MAPT (0.49) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL7706716 0.86 MAPT (0.57) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL14588696 0.83 TDP1 (0.58) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL7709423 0.82 NTRK1 (0.57) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7711959 0.80 MCHR1 (0.45) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL7712144 0.79 TDP1 (0.40) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL13495341 0.79 ALDH1A1 (0.50) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7709479 0.78 TDP1 (0.42) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL7709650 0.78 RXFP1 (0.47) TDP1MAPTMEN1KMT2ANPSR1
SCHEMBL29367470 0.78 KMT2A (0.74) MAPTMEN1KMT2AGRM5ALDH1A1

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