SCHEMBL7468439

SCHEMBL7468439

COC(=O)c1cccc(OC(F)(F)F)c1.O=S(=O)(O)Cl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.55
KAT6A Q92794 4/20 0.53
DDR1 Q08345 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 1/20 0.45
SDHB P21912 1/20 0.44

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
SCHEMBL27425788 0.96 MRGPRX4 (0.56) MRGPRX4KAT6ADDR1HDAC8TAS1R3
SCHEMBL7055657 0.91 MRGPRX4 (0.63) MRGPRX4KAT6AHDAC8TAS1R3TAS1R1
SCHEMBL7466621 0.86 KMT2A (0.51) MRGPRX4L3MBTL1POLBTP53SMN1; SMN2
Methyl 3-Methoxybenzoate SCHEMBL7469145 0.85 SMN1; SMN2 (0.62) KAT6AL3MBTL1POLBTP53SMN1; SMN2
SCHEMBL7470835 0.85 DDR1 (0.49) KAT6ADDR1HDAC8
SCHEMBL7471424 0.85 HDAC8 (0.52) MRGPRX4KAT6ADDR1HDAC8TAS1R3
SCHEMBL7468451 0.83 ALDH1A1 (0.51) MRGPRX4KAT6ADDR1HDAC8SMN1; SMN2
SCHEMBL7465987 0.81 NPSR1 (0.55) MRGPRX4KAT6APOLBSDHB
SCHEMBL27427424 0.81 HDAC8 (0.53) MRGPRX4KAT6ADDR1HDAC8TAS1R3
Methyl 3-Methoxybenzoate SCHEMBL27476346 0.80 SMN1; SMN2 (0.64) KAT6AL3MBTL1POLBTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed