SCHEMBL17844158

SCHEMBL17844158

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRM2 Q14416 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 2/20 0.40
HTT P42858 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL5186011 0.90 ALDH1A1 (0.48) GAAMAPTSMN1; SMN2GRM2TP53
SCHEMBL17844142 0.88 GAA (0.38) GAAMAPTSMN1; SMN2GRM2TP53
SCHEMBL17844161 0.81 FAAH (0.44) GAAMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL5198203 0.81 CASP3 (0.43) GAAMAPTSMN1; SMN2ALDH1A1GLA
SCHEMBL17844132 0.80 FAAH (0.39) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL17844140 0.79 SMN1; SMN2 (0.49) GAAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17844070 0.79 FAAH (0.40) GAAALDH1A1GLAATML3MBTL1
SCHEMBL17844198 0.79 MEN1 (0.48) GAAMAPTSMN1; SMN2GRM2TP53
SCHEMBL5184388 0.78 FAAH (0.47) MAPTSMN1; SMN2TP53ALDH1A1ATM
SCHEMBL5200606 0.78 MEN1 (0.38) GAAMAPTSMN1; SMN2TP53ALDH1A1

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