SCHEMBL11089906

SCHEMBL11089906

CCC(=O)CSc1nc(C)c(CCO)c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL7149943 0.84 ALDH1A1 (0.55) PKMALDH1A1TSHRLMNAHPGD
SCHEMBL5108684 0.78 KDM4E (0.58) PKMALDH1A1LMNAHPGDHTT
SCHEMBL28482405 0.74 SMN1; SMN2 (0.66) ALDH1A1TSHRLMNASMN1; SMN2GAA
SCHEMBL10600602 0.73 PKM (0.49) PKMALDH1A1TSHRLMNAHPGD
SCHEMBL22639722 0.71 SMN1; SMN2 (0.62) ALDH1A1TSHRLMNAHPGDSMN1; SMN2
SCHEMBL7147721 0.71 GAA (0.46) PKMALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL12143535 0.70 L3MBTL1 (0.46) ALDH1A1TSHRLMNASMN1; SMN2GAA
SCHEMBL12142140 0.69 ALDH1A1 (0.40) PKMALDH1A1HPGD
SCHEMBL512553 0.68 NPSR1 (0.58) PKMALDH1A1GAAMEN1KMT2A
SCHEMBL7146938 0.68 ALDH1A1 (0.41) PKMALDH1A1LMNASMN1; SMN2GAA

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-0110435-A1 Novel ((bis(aryl)methylene)-1-piperidinyl)alkyl-pyrimidinones JANSSEN PHARMACEUTICA N.V. (BE) 1984-06-13 EP disclosed