SCHEMBL22561801

SCHEMBL22561801

CCC(=O)N(CCc1ccc2snnc2c1)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
THRB P10828 1/20 0.44
MAPT P10636 10/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
MCL1 Q07820 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
POLB P06746 3/20 0.39
TP53 P04637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL763088 0.73 ALDH1A1 (0.48) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL18184682 0.73 ALDH1A1 (0.63) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL3205606 0.70 HSD17B10 (0.50) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL22538967 0.69 NNMT (0.42) MAPTSMN1; SMN2NPC1KDM4EMEN1
SCHEMBL478161 0.68 THRB (0.44) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL16859020 0.67 THRB (0.44) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL30443271 0.67 KMT2A (0.53) ALDH1A1NPC1RAB9AMEN1LMNA
SCHEMBL11955066 0.66 ALDH1A1 (0.44) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL12640261 0.64 MAPT (0.71) ALDH1A1THRBMAPTSMN1; SMN2NPC1
SCHEMBL8828774 0.64 CNR1 (0.43) ALDH1A1THRBMAPTSMN1; 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
EP-3725785-A1 GLUTARIMIDE DERIVATIVES, USE THEREOF, PHARMACEUTICAL COMPOSITION BASED THEREON AND METHODS FOR PRODUCING GLUTARIMIDE DERIVATIVES Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2020-10-21 EP disclosed