SCHEMBL6459323

SCHEMBL6459323

CCOC(=O)c1cnccc1NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 3/20 0.60
KDM4C Q9H3R0 3/20 0.60
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
THRB P10828 1/20 0.52
TP53 P04637 3/20 0.51
TSHR P16473 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
PPP1CA P62136 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48

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
SCHEMBL15295173 0.83 KDM4C (0.72) KDM6BKDM4CMAPTSMN1; SMN2RAB9A
SCHEMBL3716882 0.81 KDM4C (0.67) KDM6BKDM4CSMN1; SMN2RAB9AKMT2A
SCHEMBL28283057 0.79 TP53 (0.43) KDM6BKDM4CMAPTSMN1; SMN2ALDH1A1
SCHEMBL6450277 0.79 TP53 (0.46) KDM6BKDM4CMAPTSMN1; SMN2RAB9A
SCHEMBL28054190 0.79 TP53 (0.51) KDM4CMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL2087718 0.78 KDM4C (0.69) KDM6BKDM4CMAPTSMN1; SMN2RAB9A
SCHEMBL4073078 0.77 TP53 (0.50) MAPTSMN1; SMN2RAB9AALDH1A1TP53
SCHEMBL1522683 0.77 MAPT (0.62) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL15295184 0.76 KDM6B (0.72) KDM6BKDM4CMAPTSMN1; SMN2RAB9A
SCHEMBL1523353 0.76 KDM4C (0.62) KDM6BKDM4CALDH1A1TSHRKMT2A

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-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO disclosed