SCHEMBL22293235

SCHEMBL22293235

Cc1sc(N(CCc2ccc(Cl)cc2)CC2CCCCC2)nc1C(=O)N[S+]([O-])C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
CHIT1 Q13231 1/20 0.33
CHIA Q9BZP6 1/20 0.33
NR1D1 P20393 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CMKLR1 Q99788 3/20 0.32
C5AR1 P21730 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 2/20 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
SCHEMBL18974930 0.84 CMKLR1 (0.37) EPHX1ALDH1A1HPGDMEN1THRB
SCHEMBL22293276 0.83 EPHX1 (0.36) EPHX1ALDH1A1HPGDMEN1THRB
SCHEMBL18974929 0.82 CMKLR1 (0.45) EPHX1ALDH1A1HPGDMEN1THRB
SCHEMBL18974937 0.81 CMKLR1 (0.46) EPHX1ALDH1A1HPGDMEN1THRB
SCHEMBL22293296 0.78 SMN1; SMN2 (0.36) EPHX1ALDH1A1HPGDMEN1THRB
SCHEMBL22293231 0.77 TRPM8 (0.37) EPHX1ALDH1A1KDM4EPOLBPPARA
SCHEMBL18974940 0.75 ALDH1A1 (0.40) ALDH1A1LMNAHTTSMN1; SMN2CMKLR1
SCHEMBL18974555 0.74 TAS2R14 (0.35) CNR2PPARGPPARA
SCHEMBL18975167 0.72 GAA (0.37) ALDH1A1HPGDMEN1THRBKMT2A
SCHEMBL18974569 0.72 CMKLR1 (0.38) NPC1RAB9ACMKLR1CNR2PPARG

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