SCHEMBL2473665

SCHEMBL2473665

Cc1cc(Oc2ccnc(CC(N)=O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL2475270 0.86 ALDH1A1 (0.42) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2891270 0.85 MAPT (0.41) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL2470643 0.83 SCN4A (0.47) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2475625 0.80 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL2475257 0.79 ALDH1A1 (0.46) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL535781 0.79 MAPT (0.44) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3912768 0.76 PARP10 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2892781 0.75 NR4A1 (0.49)
SCHEMBL2891203 0.75 MEN1 (0.41) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL2473090 0.74 RAF1 (0.45) ALDH1A1LMNAMAPTMEN1KMT2A

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
EP-2370429-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP disclosed