SCHEMBL28675877

SCHEMBL28675877

CCCc1ccc(-c2csc(O)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SREBF2 Q12772 6/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SLC2A1 P11166 1/20 0.46
LTA4H P09960 4/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 4/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL19626741 0.81 GAA (0.54) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3129405 0.81 LTA4H (0.64) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19625297 0.78 LMNA (0.44) LMNAMEN1KMT2ASMN1; SMN2SREBF2
SCHEMBL8515140 0.76 LTA4H (0.68) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3173201 0.73 ALOX5 (0.63) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20504926 0.73 RAB9A (0.61) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28728351 0.73 RAB9A (0.56) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19006692 0.73 LTA4H (0.48) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11491535 0.73 LTA4H (0.58) LMNAMEN1KMT2ASMN1; SMN2SREBF2
SCHEMBL3761557 0.72 ALDH1A1 (0.61) LMNAMEN1KMT2ASMN1; SMN2SREBF2

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
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed