SCHEMBL11073229

SCHEMBL11073229

CNc1cc2c([nH]c1=O)OCc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 5/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
AR P10275 1/20 0.37
TYMS P04818 1/20 0.36
MAPK14 Q16539 7/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 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
SCHEMBL11075627 0.84 RAB9A (0.45) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11075131 0.78 MAOB (0.47) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11073964 0.78 MAOA (0.47) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11071298 0.78 MAOA (0.47) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11070649 0.76 ALDH1A1 (0.44) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11068699 0.75 KDM4E (0.46) MAOAMAOBALDH1A1MAPTRAB9A
SCHEMBL11071902 0.75 MAOA (0.44) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11068819 0.75 MAOA (0.44) MAOAMAOBALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL11073271 0.74 MAOA (0.42) MAOAMAOBALDH1A1SMN1; SMN2MAPT
SCHEMBL11067060 0.73 MAOA (0.41) MAOAMAOBALDH1A1SMN1; SMN2MAPT

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-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed