SCHEMBL9852809

SCHEMBL9852809

Cc1cnc(OC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.47
SLC40A1 Q9NP59 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.41
PTGER4 P35408 1/20 0.39
SLC22A12 Q96S37 3/20 0.39
IDH1 O75874 1/20 0.37
BRD4 O60885 1/20 0.37
FBP1 P09467 1/20 0.37
NAMPT P43490 2/20 0.37
RORC P51449 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
PIK3CA P42336 1/20 0.36
AXL P30530 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL9852795 0.89 ALPL (0.45) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL30549039 0.80 ALPL (0.47) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL10686865 0.78 NR1H4 (0.44) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL25248899 0.77 ALPL (0.49) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
Benzene SCHEMBL10690567 0.77 KMT2A (0.46) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL9618654 0.73 FBP1 (0.48) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL7227358 0.73 ALPL (0.44) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL7227108 0.71 FBP1 (0.49) ALPLSLC40A1MRGPRX1PTGER4SLC22A12
SCHEMBL10695861 0.70 ALDH1A1 (0.48) ALPLSLC40A1SLC22A12IDH1
SCHEMBL8229520 0.70 ALPL (0.52) ALPLSLC40A1MRGPRX1SLC22A12BRD4

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-0444286-A1 Sulphonylated pyrimidine carboxylic acid amides BAYER AG (DE) 1991-09-04 EP disclosed