SCHEMBL1458505

SCHEMBL1458505

COc1cc(Cl)c(Cl)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 2/20 0.43
GFER P55789 1/20 0.43
CDC25B P30305 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TSHR P16473 1/20 0.42
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41

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
SCHEMBL3965223 0.83 KDM4E (0.47) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL27974265 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL31325947 0.83 TPMT (0.50) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL5187719 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL29091654 0.81 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL16952228 0.80 ALDH1A1 (0.40) SMN1; SMN2KMT2APOLBMAPTHPGD
SCHEMBL596707 0.78 KDM4E (0.52) SMN1; SMN2KMT2APOLBMAPTKDM4E
SCHEMBL295414 0.77 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL4261329 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL1047515 0.76 ALDH1A1 (0.56) HPGDCYP2C9ALDH1A1CYP3A4CA1

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-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed