SCHEMBL11428697

SCHEMBL11428697

CCc1cc(CC)c(NC(=S)NC2CC3CCC2C3)c(CC)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
MAPT P10636 8/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.50
RAB9A P51151 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
NPC1 O15118 3/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL11416571 0.90 ALDH1A1 (0.47) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL11426396 0.86 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL11416104 0.79 MAPT (0.45) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11421493 0.77 ALOX12 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL11414717 0.76 ALOX12 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL11428615 0.76 ALOX12 (0.54) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL30012866 0.75 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2KMT2AGAA
SCHEMBL11428702 0.72 PANK3 (0.40) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL11414818 0.72 KMT2A (0.51) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11414462 0.72 ALDH1A1 (0.51) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A

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-4194008-A INSECTICIDE, FUNGICIDE, MITICIDE, PARASITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-03-18 US disclosed