SCHEMBL13680946

SCHEMBL13680946

CN(C)C(=O)c1ccc(-c2nc(CCC=O)cs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.47
MAPT P10636 6/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PRMT1 Q99873 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 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
SCHEMBL13680988 0.88 MAPT (0.44) AVPR1BMAPTTP53LMNARAB9A
SCHEMBL13681038 0.86 MAPT (0.41) MAPTTP53LMNARAB9ANPC1
SCHEMBL13680932 0.86 KMT2A (0.47) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL13680937 0.84 KDM4E (0.52) MAPTTP53LMNARAB9ANPC1
SCHEMBL13680945 0.83 MEN1 (0.52) AVPR1BMAPTTP53LMNARAB9A
SCHEMBL19846771 0.83 AVPR1B (0.51) AVPR1BMAPTTP53LMNARAB9A
SCHEMBL15349056 0.83 AVPR1B (0.51) AVPR1BMAPTTP53LMNARAB9A
SCHEMBL13680951 0.82 MAPT (0.55) MAPTTP53LMNARAB9ANPC1
SCHEMBL13680958 0.82 RXFP1 (0.57) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL13681039 0.82 MAPT (0.43) MAPTTP53LMNARAB9ANPC1

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