SCHEMBL8544743

SCHEMBL8544743

Cc1ccnc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.60
MAPT P10636 3/20 0.60
PTPRC P08575 3/20 0.53
S100A4 P26447 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL8343435 0.75 TDP1 (1.00) TDP1MAPTPTPRCS100A4L3MBTL1
Onychine SCHEMBL31040561 0.74 ALDH1A1 (0.55) TDP1PTPRCL3MBTL1MAPK1CES1
SCHEMBL27697020 0.74 PTPRC (0.69) TDP1MAPTPTPRCS100A4L3MBTL1
Onychine SCHEMBL8548579 0.74 ALDH1A1 (0.55) TDP1PTPRCL3MBTL1MAPK1CES1
SCHEMBL9055622 0.72 TDP1 (0.78) TDP1MAPTPTPRCS100A4L3MBTL1
SCHEMBL11245984 0.72 PTPRC (0.67) TDP1MAPTPTPRCS100A4BCHE
SCHEMBL6415761 0.72 SMN1; SMN2 (0.39) TDP1MAPTPTPRCS100A4L3MBTL1
SCHEMBL2599382 0.71 PTPRC (1.00) TDP1MAPTPTPRCS100A4BCHE
SCHEMBL2772220 0.71 PTPRC (0.83) TDP1MAPTPTPRCS100A4MAPK1
SCHEMBL11207794 0.71 PTPRC (0.83) TDP1MAPTPTPRCS100A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680471-B1 5-SUBSTITUTED 4-METHYL-5H-INDENO 1,2-b]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AG (DE) 1998-06-10 EP disclosed
US-5637554-A 5-substituted 4-methyl-5H-indeno[3,2-b]pyridines and 9-substituted 1-methyl-9H-indeno[2,3-c]pyridines, their preparation and use as herbicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1997-06-10 US disclosed
EP-0680471-A1 5-SUBSTITUTED 4-METHYL-5H-INDENO 1,2-b]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed
WO-1994017044-A1 5-SUBSTITUTED 4-METHYL-5H-INDENO[1,2-b]PYRIDINES AND 9-SUBSTITUTED 1-METHYL-IH-INDENO[2,1-c]PYRIDINES, THEIR PREPARATION AND USE AS HERBICIDES AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1994-08-04 WO disclosed