SCHEMBL13680628

SCHEMBL13680628

Cc1csc(-c2ccc3c(c2)NC(=O)C3)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.48
CMA1 P23946 2/20 0.45
AHR P35869 2/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
EIF2AK2 P19525 1/20 0.44
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
S1PR1 P21453 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MMP12 P39900 1/20 0.42
KDM1A O60341 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
GRIA1 P42261 2/20 0.42
CACNG8 Q8WXS5 2/20 0.42
POLB P06746 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL13680630 0.90 PDE3B (0.57) CRBNAHRPDE3BPDE3ACDK5
SCHEMBL16090283 0.77 CDK5 (0.54) CRBNCDK5CDK5R1NPC1MAPT
SCHEMBL23143561 0.77 PDE3B (0.54) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL29899581 0.77 PDE3B (0.54) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL13681000 0.77 CRBN (0.40) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL13529011 0.76 CRBN (0.61) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL5869208 0.76 GRM2 (0.54) RAB9ASMN1; SMN2
SCHEMBL13680567 0.75 CRBN (0.53) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL6746667 0.75 CRBN (0.48) CRBNCMA1AHRPDE3BPDE3A
SCHEMBL6742551 0.74 CRBN (0.50) CRBNCMA1AHRPDE3BPDE3A

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