SCHEMBL11399463

SCHEMBL11399463

CC(=O)Nc1ccc(OC(=O)C2CCCc3ccc(N)cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
MTNR1A P48039 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL11410813 0.85 ACHE (0.44) ALDH1A1ACHEMTNR1ANPC1POLB
SCHEMBL11408975 0.85 ACHE (0.44) KMT2AALDH1A1HPGDACHELMNA
Hydrochloric Acid SCHEMBL11409887 0.84 ACHE (0.43) ALDH1A1ACHEMTNR1A
SCHEMBL11407590 0.83 ACHE (0.44) KMT2AACHELMNASMN1; SMN2HTT
SCHEMBL11410612 0.83 LMNA (0.41) MAPTKMT2AMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11409003 0.82 ACHE (0.43) KMT2AACHELMNASMN1; SMN2HTT
SCHEMBL11410559 0.80 TAOK1 (0.43) KMT2AMEN1ACHEMTNR1ASMN1; SMN2
SCHEMBL11414455 0.79 LMNA (0.47) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL11409248 0.77 ACHE (0.42) ACHE
SCHEMBL11418339 0.77 NPC1 (0.46) MAPTKMT2AMEN1ALDH1A1KDM4E

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
JP-55057546-A None JP disclosed
JP-S5557546-A DERIVATIVE OF TETRALIN TORII YAKUHIN KK 1980-04-28 JP disclosed