SCHEMBL17844142

SCHEMBL17844142

CCCCn1sc(-c2ccccc2)c(NCc2ccc(OC(F)F)cc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
REN P00797 1/20 0.34
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL17844158 0.88 GAA (0.43) GAAALDH1A1GLAATML3MBTL1
SCHEMBL5186011 0.86 ALDH1A1 (0.48) GAAALDH1A1GLAATML3MBTL1
SCHEMBL5607253 0.86 MAPT (0.38) ALDH1A1NPSR1FAAHMGLLLMNA
SCHEMBL17844161 0.78 FAAH (0.44) GAAALDH1A1GLAATML3MBTL1
SCHEMBL5198203 0.78 CASP3 (0.43) GAAALDH1A1GLAATML3MBTL1
SCHEMBL17844140 0.76 SMN1; SMN2 (0.49) GAAALDH1A1L3MBTL1NPSR1LMNA
SCHEMBL17844220 0.76 FAAH (0.40) GAAALDH1A1GLAATML3MBTL1
SCHEMBL17844070 0.76 FAAH (0.40) GAAALDH1A1GLAATML3MBTL1
SCHEMBL17844198 0.76 MEN1 (0.48) GAAALDH1A1ATMNPSR1FAAH
SCHEMBL5614183 0.76 P2RX3 (0.37) GAAALDH1A1L3MBTL1BACE1NPSR1

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed