SCHEMBL13680944

SCHEMBL13680944

COOSc1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 3/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13680935 0.87 LMNA (0.38) KDM4EALDH1A1HPGDRAB9ATDP1
SCHEMBL13680929 0.81 ALDH1A1 (0.62) KDM4EALDH1A1HPGDRAB9ATDP1
SCHEMBL13680926 0.79 LMNA (0.56) KDM4EALDH1A1RAB9AMAPTLMNA
SCHEMBL13680958 0.77 RXFP1 (0.57) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL13680943 0.76 RAB9A (0.48) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL13680922 0.76 GFER (0.62) KDM4EALDH1A1RAB9AMAPTLMNA
SCHEMBL13680920 0.76 RAB9A (0.56) KDM4EALDH1A1HPGDRAB9AMAPT
SCHEMBL13680934 0.75 TP53 (0.51) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL13680538 0.74 CYP3A4 (0.43) KDM4EALDH1A1HPGDRAB9ATDP1
SCHEMBL13680932 0.74 KMT2A (0.47) KDM4EALDH1A1HPGDRAB9AMAPT

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