SCHEMBL9529411

SCHEMBL9529411

O=S(=O)(Cl)Oc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.47
CA2 P00918 12/20 0.46
CA9 Q16790 9/20 0.46
CA1 P00915 9/20 0.46
CA12 O43570 4/20 0.46
YAP1 P46937 1/20 0.41
TEAD4 Q15561 1/20 0.41
TEAD2 Q15562 1/20 0.41
ENPP1 P22413 1/20 0.40
ENPP2 Q13822 1/20 0.40
CA7 P43166 1/20 0.39
HSPB1 P04792 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL779427 0.82 SOS1 (0.48) SOS1CA2CA9CA1CA12
SCHEMBL31634374 0.80 SOS1 (0.47) SOS1CA2CA9CA1CA12
SCHEMBL4348245 0.80 CA2 (0.64) CA2CA9CA1CA12ENPP1
SCHEMBL16140142 0.80 SOS1 (0.47) SOS1CA2CA9CA1CA12
SCHEMBL3736307 0.78 SOS1 (0.45) SOS1CA2CA9CA1CA12
SCHEMBL9451266 0.78 CA2 (0.76) SOS1CA2CA9CA1CA12
SCHEMBL4822537 0.78 CA1 (0.61) CA2CA9CA1CA12CA7
SCHEMBL1941544 0.78 CA2 (0.61) CA2CA9CA1CA12TEAD4
SCHEMBL14015383 0.78 CA2 (0.49) SOS1CA2CA9CA1CA12
SCHEMBL9788649 0.78 CA2 (0.61) CA2CA9CA1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270947-B1 SUBSTITUTED BASIC 2-AMINOTETRALINES BAYER AG (DE) 1993-05-19 EP disclosed
EP-0270947-A2 Substituted basic 2-aminotetralines BAYER AG (DE) 1988-06-15 EP disclosed
EP-0010249-A2 Herbicidal agents, process for their preparation and their use in combating weeds BAYER AG (DE) 1980-04-30 EP disclosed
EP-0010250-A2 Use of Sulfonanilides in inhibition of plant growth BAYER AG (DE) 1980-04-30 EP disclosed