SCHEMBL14215548

SCHEMBL14215548

Cc1ccccc1C(=O)Nc1ccc(S)c2c1CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 2/20 0.48
FLT3 P36888 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CSF1R P07333 1/20 0.47
KCNMA1 Q12791 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC16A3 O15427 1/20 0.45

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
SCHEMBL1337535 0.80 L3MBTL1 (0.47) L3MBTL1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL1339803 0.79 L3MBTL1 (0.46) L3MBTL1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL1339754 0.79 MEN1 (0.73) L3MBTL1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL10940030 0.76 MEN1 (0.69) L3MBTL1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL1340375 0.74 LMNA (0.55) L3MBTL1ATMNPC1LMNATP53
SCHEMBL1337759 0.74 CCR8 (0.60)
SCHEMBL3690385 0.73 HPGD (0.77) L3MBTL1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL1339604 0.73 CCR8 (0.60) MEN1KMT2A
SCHEMBL24448306 0.70 RAB9A (0.63) L3MBTL1ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL13581610 0.70 MAPT (0.71) L3MBTL1ALDH1A1HPGDSMN1; SMN2NPC1

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-7378525-B2 CCR8 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-27 US disclosed