SCHEMBL22293296

SCHEMBL22293296

Cc1sc(N(CCC2CCCCC2)Cc2ccc(Cl)cc2)nc1C(=O)N[S+]([O-])C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CNR2 P34972 4/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NR1D1 P20393 1/20 0.33
GAA P10253 1/20 0.33
CNR1 P21554 3/20 0.32
EPHX1 P07099 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL18975170 0.83 CMKLR1 (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL18975177 0.83 CMKLR1 (0.43) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22293306 0.83 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL18975167 0.82 GAA (0.37) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22293231 0.79 TRPM8 (0.37) ALDH1A1KDM4EPOLBEPHX1PSEN1
SCHEMBL22293235 0.78 EPHX1 (0.33) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL18975107 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL18975178 0.76 PSEN1 (0.37) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL22293302 0.75 NR1D1 (0.37) SMN1; SMN2ALDH1A1HTTCNR2NPC1
SCHEMBL22292922 0.75 SLC6A4 (0.37) MEN1KMT2ACNR1

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-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed