SCHEMBL28032699

SCHEMBL28032699

[H+].[c]1cccc2c1Nc1ccccc1O2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.57
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL5161 0.98 ALOX5 (0.59) ALOX5GAANPSR1DHODHMEN1
SCHEMBL15062387 0.78 ALOX5 (0.52) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL28278952 0.77 ALOX5 (0.94) ALOX5GAANPSR1DHODHMEN1
SCHEMBL851887 0.76 ALOX5 (0.55) ALOX5GAANPSR1DHODHMEN1
SCHEMBL25006 0.76 ALOX5 (0.59) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL29355714 0.75 ALOX5 (1.00) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL7862 0.75 ALOX5 (1.00) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL6310178 0.75 ALOX5 (1.00) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL28844098 0.75 ALOX5 (1.00) ALOX5GAANPSR1DHODHMEN1
Phenoxazine SCHEMBL25275195 0.73 ALOX5 (0.94) ALOX5GAANPSR1DHODHMEN1

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
CN-105358544-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2016-02-24 CN disclosed
CN-105051005-A Cyclopropylamine compound and use thereof TAKEDA PHARMACEUTICAL 2015-11-11 CN disclosed