SCHEMBL7363510

SCHEMBL7363510

CS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.66
SLC6A4 P31645 1/20 0.56
PTGS2 P35354 10/20 0.56
PTGS1 P23219 3/20 0.56
FFAR1 O14842 2/20 0.53
FFAR4 Q5NUL3 1/20 0.51
HSPB1 P04792 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP14 P50281 1/20 0.50

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
SCHEMBL11547843 0.89 HTT (0.58) SOS1PTGS2PTGS1
SCHEMBL444872 0.87 PTGS2 (0.69) PTGS2PTGS1
Water SCHEMBL27918427 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL11519866 0.83 SOS1 (0.70) SOS1FFAR1FFAR4HSPB1MMP2
SCHEMBL14138146 0.83 SOS1 (0.70) SOS1FFAR1FFAR4HSPB1MMP2
SCHEMBL9779005 0.83 SOS1 (0.70) SOS1FFAR1FFAR4HSPB1MMP2
SCHEMBL8941654 0.83 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL14030831 0.82 PTGS1 (0.51) SOS1SLC6A4PTGS2PTGS1FFAR1
SCHEMBL13814624 0.81 HTT (0.63) PTGS2PTGS1FFAR1
SCHEMBL7359540 0.81 SOS1 (0.64) SOS1PTGS2PTGS1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032033-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2021-02-25 WO disclosed
WO-2019148850-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-6235786-B1 RHEUMATIC DISORDERS; BONE DISORDERS; ORAL DISEASES; ANTIULCER AGENTS; ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-22 US disclosed
WO-2000044712-A1 N-HYDROXYFORMAMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed