SCHEMBL13680567

SCHEMBL13680567

Cc1cccc(-c2ccc3c(c2)NC(=O)C3)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.53
GRIA1 P42261 2/20 0.48
CACNG8 Q8WXS5 2/20 0.48
KDM1A O60341 1/20 0.47
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
AHR P35869 3/20 0.45
CMA1 P23946 2/20 0.45
EIF2AK2 P19525 1/20 0.44
MTOR P42345 1/20 0.43
PDK2 Q15119 1/20 0.42
S1PR1 P21453 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MMP12 P39900 1/20 0.42
RAB9A P51151 1/20 0.42
TGFBR1 P36897 1/20 0.42
PGR P06401 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 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
SCHEMBL13680572 0.89 GRIA1 (0.62) CRBNGRIA1CACNG8BRD4CREBBP
SCHEMBL30648377 0.77 EPHX2 (0.47) NPC1MAPTRAB9APDE3BPDE3A
SCHEMBL6744849 0.77 KDM1A (0.55) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL29899623 0.77 KDM1A (0.55) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL16321642 0.77 ENPP3 (0.49) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL8265611 0.77 CRBN (0.61) CRBNGRIA1CACNG8BRD4CREBBP
SCHEMBL16322861 0.76 EIF2AK2 (0.49) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL13529011 0.76 CRBN (0.61) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL13680628 0.75 CRBN (0.48) CRBNGRIA1CACNG8KDM1ABRD4
SCHEMBL23143561 0.74 PDE3B (0.54) CRBNKDM1ABRD4CREBBPAHR

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