SCHEMBL4403279

SCHEMBL4403279

CCOC(=O)c1c(CCl)nc(C)c(C(=O)OCc2ccccc2)c1-c1ccc(Cl)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ADORA3 P0DMS8 4/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ CSF1R P07333 1/20 0.40

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
SCHEMBL364227 0.92 KDM4E (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL363607 0.82 ADORA3 (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL295426 0.81 MAPT (0.48) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL8268871 0.80 MAPT (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7273936 0.77 SMN1; SMN2 (0.60) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL4403200 0.76 MAPT (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7267948 0.75 KDM4E (0.54) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL3318169 0.73 KDM4E (0.77) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2703349 0.72 KDM4E (0.45) KDM4EMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL2704427 0.71 PLA2G2A (0.44) KDM4EMAPTSMN1; SMN2LMNAKMT2A

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
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 — — EP disclosed
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