SCHEMBL21130474

SCHEMBL21130474

CCc1[nH]c(=O)c(C(=O)OC)c(Cl)c1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR4A2 P43354 1/20 0.34
GAA P10253 3/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL8884656 0.70 LMNA (0.46) LMNAUSP2ALDH1A1KDM4EHPGD
SCHEMBL5028985 0.68 CYP1A2 (0.54) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL8513517 0.67 CA12 (0.40) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL1621957 0.64 KDM4E (0.69) LMNAALDH1A1KDM4EHPGDMEN1
Dacthal SCHEMBL53477 0.63 CA12 (0.48) LMNAALDH1A1KDM4EHPGDKMT2A
Dacthal SCHEMBL8827292 0.63 CA12 (0.48) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL9454972 0.62 LMNA (0.53) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL3184092 0.62 LMNA (0.49) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL21130473 0.62 USP2 (0.46) LMNAUSP2ALDH1A1KDM4EHPGD
SCHEMBL5334826 0.61 CA12 (0.46) LMNAALDH1A1KDM4EHPGDHSD17B10

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
WO-2019115776-A1 SUBSTITUTED AZETIDINE DIHYDROTHIENOPYRIDINES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2019-06-20 WO disclosed