SCHEMBL9364397

SCHEMBL9364397

O=Cc1ccnc2c([N+](=O)[O-])cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.63
KMT2A Q03164 9/20 0.63
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 7/20 0.63
TDP1 Q9NUW8 6/20 0.63
CCR1 P32246 1/20 0.56
CCR5 P51681 1/20 0.56
CCR8 P51685 1/20 0.56
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 4/20 0.55
MITF O75030 1/20 0.55
PDE10A Q9Y233 1/20 0.53
LMNA P02545 3/20 0.51
ERN1 O75460 1/20 0.49
IDO1 P14902 2/20 0.48
GAA P10253 2/20 0.48
CTSB P07858 2/20 0.48
TDO2 P48775 1/20 0.48
NCOA1 Q15788 1/20 0.48

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
SCHEMBL6537968 0.86 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL26964175 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL31067265 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL22120229 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL317836 0.78 KMT2A (1.00) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL6538214 0.78 MAPT (0.77) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL4642926 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL29800698 0.78 ALDH1A1 (0.67) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL27190190 0.77 MAPT (0.74) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL1394957 0.76 TDP1 (0.69) ALDH1A1TDP1MAPTSMN1; SMN2HTT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1025854-C Process for preparing quinolyl oxazol-2-ones MERRELL DOW PHARMA (US) 1994-09-07 CN disclosed
EP-0365863-B1 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMA (US) 1994-08-17 EP disclosed
EP-0428105-B1 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
EP-0428107-B1 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMA (US) 1994-01-19 EP disclosed
US-5190957-A TREATMENT OF MULTI-DRUG RESISTANT TUMORS WITH QUINOLYL-AND ISOQUINOLYLOXAZOLE-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-03-02 US disclosed
US-5061715-A Useful in treating AIDS and ARC MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-29 US disclosed
EP-0428107-A2 Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
EP-0428105-A2 Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity MERRELL DOW PHARMACEUTICALS INC. (US) 1991-05-22 EP disclosed
US-4999431-A Reacting A Bromoquinoline Compound With Butyllithium And An N-Methyl-N-Methoxyalkanamide; Intermediates for Quinolyloxazole-2-ones MERRELL DOW PHARMACEUTICALS (US) 1991-03-12 US disclosed
US-4990519-A Antiasthma, hypotensive agents, bronchodilator agents MERRELL DOW PHARMACEUTICALS (US) 1991-02-05 US disclosed
CN-1042145-A New quinolyl  azoles-2-ketone compounds as inhibitors of protein kinase C MERRELL DOW PHARMA (US) 1990-05-16 CN disclosed
EP-0365863-A2 Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-05-02 EP disclosed
US-4886811-A HYPOTENSIVE AGENTS AND VASODILATORS MERRELL DOW PHARMACEUTICALS (US) 1989-12-12 US disclosed