SCHEMBL367564

SCHEMBL367564

COc1ccc2c(C(=O)N3CCCC3)c3ccccc3n2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
POLB P06746 2/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GFER P55789 1/20 0.42
NPC1 O15118 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL365591 0.99 HPGD (0.49) HPGDPOLBRAB9AHTTTDP1
SCHEMBL366310 0.89 ALDH1A1 (0.52) HPGDPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL365544 0.89 REN (0.53)
SCHEMBL365014 0.82 KDM4E (0.48) HPGDPOLBHTTALDH1A1SMN1; SMN2
SCHEMBL365565 0.81 KMT2A (0.52) HPGDHTTTDP1LMNAALDH1A1
SCHEMBL364594 0.81 EGFR (0.44) HPGDPOLBHTTLMNAALDH1A1
SCHEMBL367563 0.80 KDM4E (0.52) HPGDPOLBRAB9AHTTTDP1
SCHEMBL365590 0.79 KDM4E (0.51) HPGDPOLBRAB9AHTTTDP1
SCHEMBL364207 0.79 EGFR (0.47) HPGDRAB9AHTTALDH1A1SMN1; SMN2
SCHEMBL364969 0.77 KDM4E (0.53) HPGDPOLBHTTLMNAALDH1A1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed