SCHEMBL8273619

SCHEMBL8273619

CCC(C(=O)Nc1ccc(N2CCOCCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.45
LMNA P02545 4/20 0.39
HTT P42858 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
F11 P03951 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
APOBEC3A P31941 1/20 0.37
CYP2C19 P33261 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL14281195 0.90 F10 (0.45) F10LMNAHTTMEN1MAPT
SCHEMBL8272008 0.87 F10 (0.51) F10
SCHEMBL14281196 0.85 F10 (0.52) F10
SCHEMBL8273620 0.84 F10 (0.49) F10
SCHEMBL8274770 0.84 F10 (0.49) F10
SCHEMBL8272899 0.84 F10 (0.54) F10
SCHEMBL8272015 0.83 MAPT (0.48) LMNAHTTMEN1MAPTKMT2A
SCHEMBL14281186 0.76 F10 (0.55) F10
SCHEMBL8272007 0.74 F10 (0.54) F10LMNAHTTMEN1MAPT
SCHEMBL8272002 0.74 KDM4E (0.43) F10MEN1KMT2AF11TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005121103-A1 BENZIMIDAZOLES, METHOD FOR PRODUCING THEM AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 WO disclosed