SCHEMBL13680945

SCHEMBL13680945

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 6/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 3/20 0.44
AVPR1B P47901 1/20 0.43
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL13681044 0.88 MAPT (0.41) MEN1KMT2AMAPTTP53LMNA
SCHEMBL13680937 0.88 KDM4E (0.52) MEN1KMT2AMAPTTP53LMNA
SCHEMBL13680932 0.86 KMT2A (0.47) KMT2AMAPTTP53LMNAKDM4E
SCHEMBL13681269 0.86 MAPT (0.47) MEN1KMT2AMAPTTP53LMNA
SCHEMBL13680946 0.83 AVPR1B (0.47) MAPTTP53LMNAAVPR1BKDM4E
SCHEMBL13680938 0.83 MEN1 (0.49) MEN1KMT2AMAPTTP53LMNA
SCHEMBL13680958 0.83 RXFP1 (0.57) MEN1KMT2AMAPTTP53LMNA
SCHEMBL13680951 0.83 MAPT (0.55) MAPTTP53LMNAKDM4ERAB9A
SCHEMBL13680942 0.83 KDM4E (0.47) MAPTTP53LMNAKDM4ERAB9A
SCHEMBL13680943 0.83 RAB9A (0.48) MEN1KMT2AMAPTTP53LMNA

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