SCHEMBL8838121

SCHEMBL8838121

O=C(Nc1[c]cccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
FAAH O00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
MITF O75030 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
SCHEMBL1416067 0.82 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL7644336 0.79 MEN1 (0.57) ALDH1A1GAASMN1; SMN2KMT2AMAPT
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.79 ALDH1A1 (0.62) MGLLALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL3573967 0.76 MAPT (0.66) MGLLALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL8838127 0.76 MAPT (0.54) MGLLALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL6261538 0.76 MAPT (0.62) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL16588595 0.74 MGLL (0.60) MGLLALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL17373926 0.74 MGLL (0.60) MGLLALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL25490115 0.74 MEN1 (0.56) ALDH1A1GAASMN1; SMN2KMT2AMAPT
SCHEMBL4430377 0.74 KMT2A (0.66) MGLLALDH1A1GAASMN1; SMN2KMT2A

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
US-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 US disclosed