SCHEMBL8558796

SCHEMBL8558796

COc1ccc([N+](=O)[O-])nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 5/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR4 O95977 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4158236 0.81 MEN1 (0.47) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL8326193 0.81 ALDH1A1 (0.42) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL2031745 0.80 MEN1 (0.46) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL2829457 0.80 ALDH1A1 (0.40) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL31508019 0.78 GPR119 (0.37) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL8566610 0.78 NPC1 (0.44) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL6074247 0.77 ALDH1A1 (0.46) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL28029436 0.76 ALDH1A1 (0.44) KMT2AMEN1KDM4EALDH1A1TDP1
SCHEMBL17372668 0.76 USP8 (0.44) KMT2AMEN1KDM4EL3MBTL1ALDH1A1
SCHEMBL187572 0.76 ALDH1A1 (0.48) KMT2AMEN1KDM4EL3MBTL1ALDH1A1

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
EP-0618916-B1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES KNOLL AG (DE) 1998-09-23 EP disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US disclosed