SCHEMBL11545281

SCHEMBL11545281

Cc1cc2nc3n(c2cc1C)CCC(=O)N3

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALOX5 P09917 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SOS1 Q07889 4/20 0.32
GAA P10253 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32

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
SCHEMBL11541426 0.89 PDE3B (0.35) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL19807936 0.82 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11541492 0.81 CYP1A1 (0.39) KDM4EALDH1A1GLAHPGDSMN1; SMN2
SCHEMBL11542463 0.78 GAA (0.34) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11544043 0.77 DAPK3 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL20595719 0.77 CYP1A2 (0.39) ALDH1A1GLAMEN1KMT2ADDB1
SCHEMBL11542960 0.77 CRBN (0.33) KDM4ESMN1; SMN2DDB1CRBNALOX5
SCHEMBL11544625 0.76 MAPT (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ADDB1
SCHEMBL11542347 0.75 TP53 (0.40) ALDH1A1SMN1; SMN2CRBNALOX5NPC1
SCHEMBL32688313 0.75 CRBN (0.44) KDM4EALDH1A1HPGDDDB1CRBN

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