SCHEMBL21603641

SCHEMBL21603641

CCc1c(NC(=O)C2CC2)sc2c1CC(C)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
REV1 Q9UBZ9 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
FLT3 P36888 1/20 0.45
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.42
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL21604217 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21603707 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21597466 0.81 KDM4E (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21597710 0.80 KDM4E (0.69) SMN1; SMN2MAPTKDM4EHSD17B10ALDH1A1
SCHEMBL5455799 0.80 FLT3 (0.68) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21597119 0.79 REV1 (0.53) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21603968 0.79 KDM4E (0.71) NPC1RAB9AMAPTKDM4EHSD17B10
SCHEMBL21603848 0.77 CNR2 (0.53) SMN1; SMN2MAPTKDM4EHSD17B10REV1
SCHEMBL21597113 0.76 CNR2 (0.50) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL21603632 0.73 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTKDM4E

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