SCHEMBL7706867

SCHEMBL7706867

O=C1c2ccc(N3CCCC3)c3cc([N+](=O)[O-])cc(c23)C(=O)N1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 10/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 5/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 6/20 0.43
HTT P42858 5/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PABPC1 P11940 1/20 0.43
S1PR1 P21453 1/20 0.43

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
SCHEMBL7703689 0.82 ALDH1A1 (0.41) MEN1KMT2ARAB9AGAAALDH1A1
SCHEMBL7703758 0.81 ALDH1A1 (0.48) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL7709472 0.81 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7703800 0.79 KMT2A (0.45) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7709788 0.79 KMT2A (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7709659 0.78 KMT2A (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7972269 0.76 KMT2A (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7709797 0.76 KMT2A (0.67) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4876279 0.75 GAA (0.62) GAAALDH1A1SMN1; SMN2LMNACYP1A2
SCHEMBL7709609 0.74 KMT2A (0.69) MEN1KMT2ARAB9ANPC1ALDH1A1

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 6 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-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 claimed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP claimed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO 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