SCHEMBL21603764

SCHEMBL21603764

CC1CCc2sc(NC(=O)C3CC3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 7/20 0.48
LMNA P02545 4/20 0.48
KDM4E B2RXH2 1/20 0.48
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.42

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
SCHEMBL21597801 0.83 TP53 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21597427 0.83 TBXAS1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27415414 0.83 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL21597674 0.81 TP53 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21597854 0.80 TP53 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21603763 0.80 TP53 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8291574 0.80 NPC1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21597595 0.79 TP53 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21603867 0.77 TP53 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL28622749 0.76 TP53 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2TP53

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-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed