SCHEMBL14018652

SCHEMBL14018652

CC(C)Oc1cc(NCc2ccccc2Cl)cc(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
FFAR1 O14842 1/20 0.44
CD38 P28907 1/20 0.43
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
NPC1 O15118 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MAOB P27338 1/20 0.41
PLAU P00749 2/20 0.41
GAA P10253 2/20 0.41
THRB P10828 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 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
SCHEMBL2666371 0.89 MAOB (0.41) SMN1; SMN2RAB9AGFERFFAR1CD38
SCHEMBL30765134 0.77 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AGFERFFAR1CD38
SCHEMBL1798143 0.77 CSNK2A2 (0.47) SMN1; SMN2MAPTLMNAPLAU
SCHEMBL9071499 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AGFERFFAR1KCNJ5
SCHEMBL6040690 0.75 MAPK14 (0.44) SMN1; SMN2RAB9AGFERNPC1MAPT
SCHEMBL19329815 0.70 MCL1 (0.49) CD38MAPTLMNAMAOBEPHX2
SCHEMBL14191734 0.70 CACNA1B (0.51) RAB9ANPC1PARP10MAOBMEN1
SCHEMBL14018144 0.69 MAOB (0.51) FFAR1PARP10MAOB
SCHEMBL8755190 0.69 RAB9A (0.59) SMN1; SMN2RAB9AGFERFFAR1MAPT
SCHEMBL2518714 0.68 RAB9A (0.54) SMN1; SMN2RAB9AGFERFFAR1NPC1

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-1987831-A1 COMPOUNDS EFFECTING GLUCOKINASE AstraZeneca AB (SE) 2008-11-05 EP disclosed
EP-1568367-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2007-04-18 EP disclosed