SCHEMBL7268014

SCHEMBL7268014

Nc1ccc2c(c1)NCC(=O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.39
MAPT P10636 8/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GFER P55789 1/20 0.35
GAA P10253 6/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
APAF1 O14727 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7275367 0.86 MAPT (0.35) CA9MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL22394766 0.80 AHR (0.42) MAPTGAAKMT2AMEN1LMNA
SCHEMBL15046597 0.79 ALDH1A1 (0.50) CA9MAPTSMN1; SMN2GAAKMT2A
SCHEMBL14407069 0.75 ALOX5 (0.53) CA9MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL15046559 0.75 PARP1 (0.51) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL16418606 0.75 ALDH1A1 (0.43) CA9MAPTNPC1RAB9AL3MBTL1
SCHEMBL323313 0.73 GAA (0.60) MAPTGAAKMT2AMEN1LMNA
SCHEMBL29358961 0.73 GAA (0.60) MAPTGAAKMT2AMEN1LMNA
SCHEMBL9642426 0.72
SCHEMBL4475827 0.71 DHFR (0.46) MAPTALDH1A1

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-4963677-A TREATMENT OF CONGESTIVE HEART FAILURE ORION CORPORATION LTD. (FI) 1990-10-16 US disclosed
EP-0322746-A1 Heterocyclic compounds ORION CORPORATION LIMITED (FI) 1989-07-05 EP disclosed