SCHEMBL8633152

SCHEMBL8633152

CCc1cc(N(C)c2ccccc2C(F)(F)F)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
ESR1 P03372 2/20 0.38
POLQ O75417 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
GSTO1 P78417 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL8632865 0.88 RORC (0.36) RORCESR1HDAC6SMN1; SMN2
SCHEMBL8637431 0.86 LGMN (0.37) RORCPOLQHDAC6NR1H2NR1H3
SCHEMBL7764069 0.86 SLC9A1 (0.42)
SCHEMBL8635259 0.85 ALDH1A1 (0.38) ESR1
SCHEMBL8634234 0.84 MEN1 (0.36) RORCESR1SMN1; SMN2
SCHEMBL8637434 0.83 TACR1 (0.41)
SCHEMBL8635203 0.82 HSP90AA1 (0.35) ESR1SMN1; SMN2MCL1
SCHEMBL8634165 0.81 ESR1 (0.39) ESR1
SCHEMBL8636273 0.80 ALDH1A1 (0.36) HDAC6
SCHEMBL8636231 0.78 MCL1 (0.33) MCL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852614-A1 DELAYED-TACK ADHESIVE COMPOSITION Kao Corporation (JP) 1998-07-15 EP disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
WO-1997012010-A1 DELAYED-TACK ADHESIVE COMPOSITION KAO CORPORATION (JP) 1997-04-03 WO disclosed