SCHEMBL11549394

SCHEMBL11549394

CC(O)c1ccc2nc3n(c2c1)CCC(=O)N3

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
CRBN Q96SW2 4/20 0.32
KCNH2 Q12809 4/20 0.32
UGT2B7 P16662 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
OGA O60502 2/20 0.31
SYK P43405 1/20 0.30
RPS6KA3 P51812 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
SCHEMBL11542183 0.90 TP53 (0.34) SCN9ACRBNKCNH2UGT2B7PLG
SCHEMBL19807936 0.80 SMN1; SMN2 (0.41) CRBNKCNH2RPS6KA3
SCHEMBL11547038 0.79 SLC2A1 (0.37) SCN9ACRBNKCNH2RPS6KA3
SCHEMBL11544043 0.78 DAPK3 (0.37) CRBN
SCHEMBL20595719 0.78 CYP1A2 (0.39) CRBN
SCHEMBL11545281 0.74 KDM4E (0.41) CRBN
SCHEMBL32688313 0.74 CRBN (0.44) CRBN
SCHEMBL1713613 0.74 CRBN (0.44) CRBN
SCHEMBL11541492 0.71 CYP1A1 (0.39) KCNH2
SCHEMBL11542347 0.71 TP53 (0.40) CRBN

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