SCHEMBL7709776

SCHEMBL7709776

CC(=O)Nc1cc2c3c(cc(NC(C)=O)cc3c1)C(=O)N(O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.53
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
MAOA P21397 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SCN2A Q99250 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL7703810 0.81 KLK7 (0.48) KLK7LMNAALDH1A1HPGDPOLB
SCHEMBL3852327 0.78 HPGD (0.54) KLK7ALDH1A1HPGDMEN1KMT2A
SCHEMBL3852558 0.76 KMT2A (0.54) KLK7LMNAALDH1A1HPGDPOLB
SCHEMBL3860282 0.75 KMT2A (0.44) KLK7ALDH1A1HPGDMEN1KMT2A
SCHEMBL3853310 0.74 KMT2A (0.43) KLK7ALDH1A1HPGDMEN1KMT2A
SCHEMBL5150616 0.74 ALDH1A1 (0.53) KLK7ALDH1A1HPGDPOLBMEN1
SCHEMBL7703767 0.74 ERCC1 (0.54) KLK7ALDH1A1HPGDMEN1KMT2A
SCHEMBL5159288 0.73 MEN1 (0.60) KLK7ALDH1A1HPGDPOLBMEN1
SCHEMBL7709436 0.72 KLK7 (0.61) KLK7ALDH1A1HPGDMEN1KMT2A
SCHEMBL3860317 0.72 ALDH1A1 (0.46) LMNAALDH1A1HPGDPOLBMEN1

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 5 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 claimed
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