SCHEMBL6973576

SCHEMBL6973576

[CH2]OC(=O)Cc1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
PTBP1 P26599 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27718547 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL111429 0.81 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL13065907 0.78 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL359468 0.78 CYP1A2 (0.60) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL11425312 0.78 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL28023546 0.77 POLB (0.49) L3MBTL1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL10921299 0.77 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL28638612 0.77 TSHR (0.59) L3MBTL1ALDH1A1MAPTTHRBHPGD
SCHEMBL10624628 0.75
SCHEMBL351615 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed