SCHEMBL8544485

SCHEMBL8544485

CO/N=C1\CCS(=O)(=O)c2ccc(C(=O)O)c(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
TSHR P16473 1/20 0.30
CTSL P07711 1/20 0.30
RYR2 Q92736 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
CPT1B Q92523 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
SCHEMBL8620112 0.87 POLB (0.35) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL8620116 0.87 POLB (0.35) POLBALDH1A1KMT2AMEN1NPC1
SCHEMBL8544565 0.84 POLB (0.46) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8544568 0.84 POLB (0.46) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL14985141 0.81 POLB (0.37) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL17171857 0.81 POLB (0.37) POLBSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8549371 0.79 CYP3A4 (0.31) POLB
SCHEMBL8549375 0.79 CYP3A4 (0.31) POLB
SCHEMBL8548898 0.76 POLB (0.34) POLBSMN1; SMN2RAB9A
SCHEMBL8548894 0.76 POLB (0.34) POLBSMN1; SMN2RAB9A

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-0818455-A1 PYRAZOLE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-01-14 EP disclosed