SCHEMBL3208628

SCHEMBL3208628

CCOC(=O)Cc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
RAB9A P51151 4/20 0.53
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 4/20 0.49
POLB P06746 1/20 0.49
FFAR1 O14842 1/20 0.49
CETP P11597 1/20 0.49
GAA P10253 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL3209227 0.87 RAB9A (0.65) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL775160 0.82 MAPT (0.56) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL3208835 0.80 RAB9A (0.65) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL3199806 0.80 PTPN1 (0.67) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL773730 0.79 PLAU (0.62) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL3203488 0.79 MAPT (0.62) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL6237411 0.78 GAA (0.60) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL13742544 0.77 NR1H4 (0.53) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL3973956 0.77 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL11361119 0.77 MAPT (0.65) SMN1; SMN2LMNAMAPTMEN1KMT2A

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
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed