SCHEMBL5794944

SCHEMBL5794944

COc1ccc2c(c1)C=C(C(=O)Cl)CO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
HTT P42858 2/20 0.64
HSP90AA1 P07900 1/20 0.64
GAA P10253 1/20 0.64
MAOB P27338 2/20 0.62
SHMT2 P34897 1/20 0.62
NR1H4 Q96RI1 2/20 0.61
MTNR1A P48039 2/20 0.56
ALOX5 P09917 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.54
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA2 P00918 1/20 0.52
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL3198679 0.87 MAOB (0.64) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL9058391 0.87 MAOB (0.64) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL3277849 0.80 MEN1 (0.68) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL30667838 0.78 SHMT2 (0.57) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL17792752 0.77 SHMT2 (1.00) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL6756877 0.76 MTNR1A (0.52) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL432850 0.75 ALOX5 (0.71) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL10470600 0.75 ALOX5 (0.71) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL266611 0.75 MTNR1A (0.53) MAPTMEN1KMT2AHTTHSP90AA1
SCHEMBL10334868 0.75 ALOX5 (0.56) MAPTMEN1KMT2AHTTHSP90AA1

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-2006040646-A1 BENZIMIDAZOLE OR INDOLE AMIDES AS INHIBITORS OF PIN1 PFIZER, INC. (US) 2006-04-20 WO disclosed