SCHEMBL4440918

SCHEMBL4440918

O=C(O)NCCc1ccc(Cl)nc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.46
FFAR1 O14842 1/20 0.46
HAT1 O14929 2/20 0.45
EP300 Q09472 2/20 0.45
NAPRT Q6XQN6 1/20 0.44
CYP2C9 P11712 1/20 0.43
NAMPT P43490 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 2/20 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
SCHEMBL255686 0.85 KDM4E (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3704245 0.83 L3MBTL1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL19051524 0.81 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20641195 0.80 NAMPT (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20641527 0.80 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14297223 0.79 MEN1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3634189 0.79 MEN1 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL20641188 0.78 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24867549 0.77 FFAR1 (0.69) ALDH1A1FFAR1NAPRT
SCHEMBL4582082 0.77 TAAR1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125794-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER Eli Lilly & Company (US) 2009-12-02 EP disclosed
WO-2008076705-A1 IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2008-06-26 WO disclosed
EP-1773776-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2007-04-18 EP disclosed
WO-2006008191-A1 3-PYRIDINYLETHYLBENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO disclosed