SCHEMBL4631995

SCHEMBL4631995

CCCCOC(=O)NC(CCN(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MCL1 Q07820 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
EPHX1 P07099 1/20 0.38
DNM1 Q05193 1/20 0.38
ACHE P22303 7/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR2 O60603 1/20 0.36

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
SCHEMBL4602209 0.87 MAPK1 (0.40) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL4631031 0.87 ITGB3 (0.42) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL7812490 0.86 SIRT2 (0.44) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL4603597 0.82 CTSL (0.38) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL8141861 0.82 EPHX1 (0.44) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL4685971 0.81 SIRT2 (0.43) SMN1; SMN2RAB9ANPC1SIRT2EPHX1
SCHEMBL7278916 0.79 RAB9A (0.42) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL7278909 0.79 RAB9A (0.42) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL31023965 0.79 NOD1 (0.42) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL9565518 0.78 ACHE (0.44) SMN1; SMN2RAB9ANPC1EPHX1ACHE

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-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 WO disclosed