SCHEMBL7961769

SCHEMBL7961769

CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C(F)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.56
PTPRC P08575 4/20 0.54
PTPN2 P17706 4/20 0.54
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ANO1 Q5XXA6 5/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL12271857 0.88 TP53 (0.50) PTPN1PTPRCPTPN2TP53ALDH1A1
SCHEMBL1907122 0.87 ANO1 (0.60) ANO1
SCHEMBL12272022 0.79 TP53 (0.51) PTPN1PTPRCPTPN2TP53ALDH1A1
SCHEMBL1905629 0.79 ANO1 (0.60) MAPTANO1
SCHEMBL7950646 0.77 TP53 (0.51) PTPN1PTPRCPTPN2TP53ALDH1A1
SCHEMBL7944015 0.77 TP53 (0.47) PTPN1PTPRCPTPN2TP53MAPT
SCHEMBL1954748 0.77 ANO1 (0.63) ANO1
SCHEMBL1894867 0.77 ANO1 (0.63) ANO1
SCHEMBL1895978 0.77 ANO1 (0.63) ANO1
SCHEMBL1952323 0.76 ANO1 (0.61) TP53ALDH1A1ANO1TSHRHSD17B10

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-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 WO disclosed