SCHEMBL13680929

SCHEMBL13680929

COc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
RAB9A P51151 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HPGD P15428 3/20 0.61
MAPT P10636 7/20 0.59
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 7/20 0.53
THRB P10828 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL13680957 0.84 KDM4E (0.50) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680926 0.84 LMNA (0.56) ALDH1A1KDM4ERAB9AMAPTLMNA
SCHEMBL13680931 0.83 SHMT2 (0.56) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680958 0.82 RXFP1 (0.57) ALDH1A1KDM4ERAB9AHPGDMAPT
SCHEMBL13680959 0.82 CYP19A1 (0.53) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680942 0.82 KDM4E (0.47) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680941 0.81 KDM4E (0.47) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680939 0.81 MAPT (0.47) ALDH1A1KDM4ERAB9ATDP1HPGD
SCHEMBL13680922 0.81 GFER (0.62) ALDH1A1KDM4ERAB9AMAPTLMNA
SCHEMBL2072430 0.81 KDM4E (0.67) ALDH1A1KDM4ERAB9ATDP1HPGD

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 1 patent. 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