SCHEMBL5263997

SCHEMBL5263997

CCc1cc(Br)ccc1CN(CC1CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
GAA P10253 1/20 0.47
PKM P14618 6/20 0.44
TAS2R14 Q9NYV8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4473953 0.83 MEN1 (0.39) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL3372477 0.70 HDAC1 (0.58) MEN1KMT2APKMTAS2R14ALDH1A1
SCHEMBL4472606 0.69 SLC6A4 (0.46) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL1235305 0.69 LMNA (0.41) MEN1KMT2APKMALDH1A1LMNA
SCHEMBL7787482 0.68 GABRA1 (0.44) ALDH1A1LMNAPOLBNPSR1SMN1; SMN2
SCHEMBL4942619 0.68 PTGDR2 (0.44) MEN1KMT2ALMNANPSR1MAPK1
SCHEMBL5263995 0.67 MAPK1 (0.44) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1337014 0.66 PKM (0.42) MEN1KMT2APKMTAS2R14ALDH1A1
SCHEMBL28208196 0.66 HDAC1 (0.64) PKMHDAC1HDAC6
SCHEMBL1581656 0.65 PTGDR2 (0.47) MEN1KMT2AALDH1A1LMNAPOLB

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-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed