SCHEMBL9428232

SCHEMBL9428232

Cc1ccccc1S(=O)(=O)OC(C)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
ATM Q13315 1/20 0.39
PGR P06401 3/20 0.39
LMNA P02545 2/20 0.39
SOS1 Q07889 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38
MMP9 P14780 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
SCHEMBL6907022 0.94 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6914763 0.87 CYP1A2 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6916220 0.77 MEN1 (0.44) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6914770 0.75 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1POLB
SCHEMBL7106921 0.75 CYP1A2 (0.44) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4936612 0.74 MEN1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14778954 0.74 MEN1 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8960414 0.74 CYP1A2 (0.46) HTTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8960400 0.74 CYP1A2 (0.46) HTTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6916197 0.73 KMT2A (0.41) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5280036-A Containing 4h-1,24-triazole ring BASF AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed
US-5214064-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5187182-A Insecticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5185359-A N-phenoxphenyloxymethyl substituted azoles and method for controlling pests therewith BASF AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
US-5116860-A N-SUBSTITUTED AZOLES FOR COMBATING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed