SCHEMBL8397828

SCHEMBL8397828

CC(=O)NC1=CC=CCC1=S

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
PSMB8 P28062 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL11123178 0.83 ALDH1A1 (0.32) ALDH1A1KMT2ALMNAMEN1EPHX2
SCHEMBL11152424 0.79
SCHEMBL10755984 0.74
Methacrylic Acid SCHEMBL4298191 0.74
SCHEMBL11656321 0.72 PTGS2 (0.43) HSD17B10SMN1; SMN2GAAHTTL3MBTL1
SCHEMBL4432277 0.71
SCHEMBL5077456 0.69 ALDH1A1 (0.53) HSD17B10SMN1; SMN2GAACYP1A2CYP2C19
SCHEMBL182009 0.67
SCHEMBL7516468 0.67
SCHEMBL12609413 0.67

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-5939415-A A!-annellated pyrrole derivatives and their use in pharmacology MERCKLE GMBH (DE) 1999-08-17 US disclosed