SCHEMBL8901804

SCHEMBL8901804

COc1cc([N+](=O)[O-])c2ncccc2c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 13/20 0.50
ALDH1A1 P00352 11/20 0.50
KDM4E B2RXH2 8/20 0.50
LMNA P02545 8/20 0.50
L3MBTL1 Q9Y468 7/20 0.50
CTSB P07858 3/20 0.50
GAA P10253 3/20 0.50
IDO1 P14902 2/20 0.50
TDO2 P48775 2/20 0.50
TDP1 Q9NUW8 4/20 0.47
HTT P42858 4/20 0.47
HSP90AA1 P07900 3/20 0.47
OPRK1 P41145 2/20 0.47
CASP6 P55212 2/20 0.47
NPC1 O15118 1/20 0.47
BRD4 O60885 1/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL1377784 0.86 MAPT (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL5186834 0.85 CASP6 (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10945384 0.85 G6PD (0.60) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10944706 0.85 MAPT (0.59) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL4728660 0.83 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11543737 0.83 MAPT (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL11973643 0.82 MEN1 (0.63) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10943147 0.82 CTSB (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL4729833 0.81 KDM4E (0.44) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2469901 0.81 ALDH1A1 (0.61) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 WO disclosed