SCHEMBL13680958

SCHEMBL13680958

COC(=O)c1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
MAPT P10636 12/20 0.54
TP53 P04637 6/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
THRB P10828 1/20 0.43

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
SCHEMBL13681269 0.88 MAPT (0.47) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL13680932 0.86 KMT2A (0.47) RXFP1MAPTTP53KMT2ARAB9A
SCHEMBL13680951 0.85 MAPT (0.55) MAPTTP53RAB9AKDM4EALDH1A1
SCHEMBL13680937 0.84 KDM4E (0.52) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL13680988 0.83 MAPT (0.44) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL13680945 0.83 MEN1 (0.52) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL13680934 0.83 TP53 (0.51) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL15349207 0.83 RXFP1 (0.56) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL16603156 0.83 RXFP1 (0.56) RXFP1MAPTTP53MEN1KMT2A
SCHEMBL13680946 0.82 AVPR1B (0.47) RXFP1MAPTTP53RAB9AKDM4E

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