SCHEMBL7275367

SCHEMBL7275367

Nc1ccc2c(c1)OC(=O)CN2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 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
CA9 Q16790 1/20 0.35
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.32
MITF O75030 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RPS6KA3 P51812 1/20 0.30

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
SCHEMBL7268014 0.86 CA9 (0.39) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL17991465 0.79 ALDH1A1 (0.41) MAPTSMN1; SMN2RAB9ACA9GAA
SCHEMBL9642249 0.79 FABP6 (0.38) MAPTCA9GAAKDM4ENPSR1
SCHEMBL323313 0.73 GAA (0.60) MAPTGAANPSR1KMT2AMEN1
SCHEMBL29358961 0.73 GAA (0.60) MAPTGAANPSR1KMT2AMEN1
SCHEMBL9642426 0.72
SCHEMBL30879514 0.70 ALOX5 (0.46) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL1448832 0.70 ALOX5 (0.46) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL38660914 0.70 ALOX5 (0.46) MAPTSMN1; SMN2NPC1RAB9AGFER
SCHEMBL9559274 0.69 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9ACA9

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