SCHEMBL13680598

SCHEMBL13680598

Cc1ccc(-c2ccc3c(c2)NC(=O)C3)o1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.50
AHR P35869 4/20 0.47
CMA1 P23946 2/20 0.47
EIF2AK2 P19525 1/20 0.46
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
S1PR1 P21453 1/20 0.41
PDK2 Q15119 1/20 0.41
TDP2 O95551 3/20 0.41
KDM1A O60341 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PGR P06401 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL13680600 0.88 GRIA1 (0.57) CRBNAHRBRD4CREBBPGRIA1
SCHEMBL16321522 0.79 CRBN (0.47) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL6745200 0.78 CRBN (0.49) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL13529011 0.78 CRBN (0.61) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL13680973 0.76 CRBN (0.42) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL5873706 0.75 TDP2 (0.70) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL8265611 0.73 CRBN (0.61) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL4408889 0.73 TDP2 (0.65) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL16322576 0.72 CMA1 (0.46) CRBNAHRCMA1EIF2AK2BRD4
SCHEMBL278958 0.72 AHR (0.61) CRBNAHRCMA1EIF2AK2BRD4

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