SCHEMBL9876953

SCHEMBL9876953

CC(=O)Oc1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.55
MAPT P10636 5/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR2B P41595 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 1/20 0.45
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL30997080 0.92 LMNA (0.50) ALOX5MAPTMEN1USP2ALDH1A1
SCHEMBL23964033 0.92 LMNA (0.50) ALOX5MAPTMEN1USP2ALDH1A1
SCHEMBL1439691 0.85 CYP3A4 (0.49) ALOX5MAPTMEN1USP2ALDH1A1
SCHEMBL11194273 0.80 ALOX5 (0.46) ALOX5MAPTMEN1USP2ALDH1A1
SCHEMBL21628231 0.80 ALOX5 (0.59) ALOX5MAPTMEN1ALDH1A1LMNA
SCHEMBL31191629 0.80 ALOX5 (0.59) ALOX5MAPTMEN1ALDH1A1LMNA
SCHEMBL20888470 0.76 ALOX5 (0.53) ALOX5MAPTMEN1ALDH1A1LMNA
Bicarbonate SCHEMBL6271299 0.75 MAOB (0.50) ALOX5MAPTTDP1L3MBTL1
SCHEMBL9170332 0.74 ALOX5 (0.47) ALOX5MAPTHTR2BTDP1L3MBTL1
SCHEMBL4859644 0.74 ALOX5 (0.74) ALOX5MAPTMEN1KMT2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5035998-A Hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1991-07-30 US disclosed
US-4900822-A New hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1990-02-13 US disclosed