SCHEMBL366310

SCHEMBL366310

COc1ccc2c(C(=O)N3CCOCC3)c3ccccc3n2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL367564 0.89 HPGD (0.50) ALDH1A1HPGDKDM4EMEN1RAB9A
SCHEMBL365591 0.88 HPGD (0.49) ALDH1A1HPGDKDM4EMEN1RAB9A
SCHEMBL365544 0.86 REN (0.53)
SCHEMBL366309 0.81 KDM4E (0.55) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL365335 0.81 CNR2 (0.47) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL365014 0.79 KDM4E (0.48) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL365668 0.79 KMT2A (0.55) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL364594 0.78 EGFR (0.44) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL365565 0.78 KMT2A (0.52) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL365101 0.78 KMT2A (0.51) KDM4EHSD17B10MEN1RAB9AKMT2A

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