SCHEMBL11549498

SCHEMBL11549498

Cc1ccc2nc3n(c2c1C)CCC(=O)N3

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.36
DDB1 Q16531 3/20 0.36
ALOX5 P09917 2/20 0.34
PDE3B Q13370 4/20 0.32
PDE3A Q14432 4/20 0.32
PARP1 P09874 1/20 0.32
PDE2A O00408 1/20 0.31
P2RY12 Q9H244 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11542960 0.77 CRBN (0.33) CRBNDDB1ALOX5SMN1; SMN2
SCHEMBL19807936 0.74 SMN1; SMN2 (0.41) CRBNDDB1ALOX5PDE3BPDE3A
SCHEMBL11545281 0.74 KDM4E (0.41) CRBNDDB1ALOX5SMN1; SMN2
SCHEMBL11541426 0.72 PDE3B (0.35) CRBNDDB1PDE3BPDE3ASMN1; SMN2
SCHEMBL32688313 0.70 CRBN (0.44) CRBNDDB1
SCHEMBL1713613 0.70 CRBN (0.44) CRBNDDB1
SCHEMBL11544043 0.69 DAPK3 (0.37) CRBNDDB1SMN1; SMN2
SCHEMBL20595719 0.69 CYP1A2 (0.39) CRBNDDB1
SCHEMBL11549394 0.67 SCN9A (0.35) CRBN
SCHEMBL11544625 0.66 MAPT (0.36) CRBNDDB1ALOX5SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed