SCHEMBL5032446

SCHEMBL5032446

CCOC(=O)c1cnc(NC)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
NUDT1 P36639 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP13 P45452 1/20 0.38
GABRP O00591 1/20 0.38

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
SCHEMBL4772015 0.80 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL8818379 0.80 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL28786587 0.79 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL369489 0.77 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL18626491 0.77 ALOX15 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL20534000 0.77 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL1437509 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL21238310 0.77 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL28786529 0.75 HPGD (0.46) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12408070 0.74 KDM6B (0.44) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A

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
EP-1896040-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed