SCHEMBL1831966

SCHEMBL1831966

O=C(NCCc1ccc(CI)cc1)c1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.43
HIF1A Q16665 2/20 0.42
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1827956 0.87 NPC1 (0.47) NPC1RAB9AL3MBTL1CYP1A2CYP2D6
SCHEMBL1437230 0.77 CNR1 (0.40) L3MBTL1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL32662983 0.76 KDM4E (0.45) LMNASMN1; SMN2KDM4E
SCHEMBL2995161 0.74 POLB (0.41) NPC1RAB9AL3MBTL1LMNATP53
SCHEMBL22372297 0.72 HPGD (0.48) NPC1RAB9ACYP1A2LMNAKMT2A
SCHEMBL10245943 0.72 KDM4E (0.49) NPC1RAB9AL3MBTL1LMNAHIF1A
SCHEMBL5223245 0.71 L3MBTL1 (0.52) L3MBTL1CYP1A2LMNAKMT2AMEN1
SCHEMBL1520108 0.71 MMP13 (0.60) L3MBTL1CYP1A2CYP2D6KMT2AGAA
SCHEMBL3008643 0.71 KDM4E (0.55) L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL1437259 0.71 CNR1 (0.41) L3MBTL1LMNAMAPTKDM4E

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-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed