SCHEMBL13680989

SCHEMBL13680989

COc1ncc(-c2nc(CCC=O)cs2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 7/20 0.36
TP53 P04637 3/20 0.36
EIF4E P06730 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13681049 0.85 LMNA (0.38) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13680959 0.83 CYP19A1 (0.53) KDM4EALDH1A1HPGDTDP1RAB9A
SCHEMBL13681042 0.82 RAB9A (0.36) KDM4EALDH1A1RAB9AGAAMAPT
SCHEMBL13681046 0.81 RAB9A (0.35) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13681035 0.81 LMNA (0.38) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13681058 0.80 MAPT (0.37) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL13681036 0.80 KMT2A (0.37) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13680929 0.80 ALDH1A1 (0.62) KDM4EALDH1A1HPGDTDP1RAB9A
SCHEMBL13681312 0.80 LMNA (0.33) KDM4EALDH1A1HPGDRAB9AGAA
SCHEMBL13680955 0.78 GAA (0.42) KDM4EALDH1A1HPGDRAB9AGAA

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