SCHEMBL13680932

SCHEMBL13680932

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
MAPT P10636 7/20 0.46
TP53 P04637 4/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13681039 0.88 MAPT (0.43) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13680937 0.88 KDM4E (0.52) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13680945 0.86 MEN1 (0.52) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13680946 0.86 AVPR1B (0.47) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL13680951 0.86 MAPT (0.55) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL13680958 0.86 RXFP1 (0.57) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13681055 0.85 KDM4E (0.46) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL13681269 0.83 MAPT (0.47) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13680957 0.83 KDM4E (0.50) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL13680933 0.83 SREBF2 (0.51) KMT2AMAPTTP53LMNAKDM4E

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