SCHEMBL13680988

SCHEMBL13680988

CON(C)C(=O)c1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 6/20 0.42
AVPR1B P47901 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13680946 0.88 AVPR1B (0.47) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680958 0.83 RXFP1 (0.57) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680932 0.82 KMT2A (0.47) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680937 0.80 KDM4E (0.52) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13681038 0.80 MAPT (0.41) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680945 0.79 MEN1 (0.52) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13681269 0.79 MAPT (0.47) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680951 0.79 MAPT (0.55) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13681039 0.78 MAPT (0.43) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL13680941 0.78 KDM4E (0.47) MAPTKDM4EALDH1A1HPGDTP53

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed