SCHEMBL7709458

SCHEMBL7709458

O=C1OC(=O)c2cc(O)c([N+](=O)[O-])c3cccc1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TYMS P04818 10/20 0.44
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 1/20 0.39
KDM4A O75164 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
PLCG1 P19174 1/20 0.38
TNNI3 P19429 1/20 0.38
CASP3 P42574 1/20 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
SCHEMBL7703712 0.82 TYMS (0.44) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL1133994 0.82 TYMS (0.44) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL7709580 0.80 KMT2A (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7712218 0.79 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL7709692 0.78 TYMS (0.51) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL11412757 0.77 TYMS (0.46) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL7703859 0.75 TYMS (0.49) MEN1KMT2AMAPTTYMSHPGD
SCHEMBL9362534 0.74 TYMS (0.41) MEN1KMT2AMAPTALDH1A1TYMS
SCHEMBL4084412 0.73 TYMS (0.44) MEN1KMT2AALDH1A1TYMSLMNA
SCHEMBL29665023 0.73 TYMS (0.44) MEN1KMT2AALDH1A1TYMSLMNA

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 8 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
US-4210757-A Novel naphthoylene-perinones disperse dyestuffs CIBA-GEIGY CORPORATION (US) 1980-07-01 US disclosed
US-4207107-A Novel ortho-quinone diazide photoresist sensitizers RCA CORPORATION (US) 1980-06-10 US disclosed
US-4067889-A 2-CYANO-3-AMINO-BENZANTHRONES AS PRECURSORS CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-3970675-A ANTHRONE-AMIDINE CIBA-GEIGY CORPORATION (US) 1976-07-20 US disclosed