SCHEMBL28293338

SCHEMBL28293338

COc1ccccc1N(C(N)=O)S(=O)(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
ESR1 P03372 1/20 0.41
HPGD P15428 2/20 0.41
KLK7 P49862 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 1/20 0.38
RAD52 P43351 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL28295134 0.81 RORC (0.39) ESR1POLBALDH1A1MEN1KMT2A
SCHEMBL28293341 0.78 TP53 (0.51) HPGDALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL1039606 0.77 TSHR (0.56) PTGER1ESR1HPGDALDH1A1MEN1
SCHEMBL1040112 0.77 PTGER1 (0.43) PTGER1ESR1HPGDKLK7POLB
SCHEMBL20981709 0.77 HCRTR2 (0.43) ESR1HPGDPOLBKMT2A
SCHEMBL1038228 0.74 HCRTR2 (0.65) PTGER1ESR1ALDH1A1MEN1KMT2A
SCHEMBL11206660 0.74 SMN1; SMN2 (0.39) HPGDPOLBALDH1A1MEN1KMT2A
SCHEMBL28178705 0.74 HTR6 (0.40) HTR6MAPT
SCHEMBL27887722 0.73 HCRTR2 (0.43) ESR1POLBALDH1A1MEN1KMT2A
SCHEMBL11214956 0.73 MEN1 (0.38) PTGER1HPGDPOLBALDH1A1MEN1

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
CN-109790108-A Thermal recording medium 奥古斯特科勒纸厂欧洲公司 2019-05-21 CN disclosed