SCHEMBL7743966

SCHEMBL7743966

N#Cc1ccc(OP(O)(=S)Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
TSHR P16473 1/20 0.45
SRC P12931 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB1 P08183 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
F2 P00734 1/20 0.39
MMP2 P08253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL8804102 0.84 MAOB (0.46) MAOBTSHRSRCPARP15PARP10
SCHEMBL483025 0.82 SRC (0.58) TSHRSRCCYP2C9CYP2C19KDM4E
SCHEMBL2354339 0.81 CA2 (0.43) MAOBPARP15PARP10PARP2CYP19A1
Ammonia Solution, Strong SCHEMBL11664408 0.80 SRC (0.56) TSHRSRCCYP2C9CYP2C19KDM4E
SCHEMBL7270129 0.80 SRC (0.56) TSHRSRCCYP2C9CYP2C19KDM4E
SCHEMBL10976957 0.79 PTGDR2 (0.40) SRCCYP2C9CYP2C19F2SMN1; SMN2
SCHEMBL8804107 0.79 MAOB (0.47) MAOBTSHRCYP19A1MAOAMAPT
SCHEMBL28069076 0.78 SRC (0.45) TSHRSRCCYP2C9CYP2C19KDM4E
SCHEMBL2465147 0.78 MAOB (0.50) MAOBTSHRPARP15PARP10PARP2
SCHEMBL28460825 0.78 MAOB (0.50) MAOBTSHRSRCPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078444-C Iungicidal silicon-contraining compounds, their preparation and their agrochemical and medicinal uses SANKYO CO (JP) 2002-01-30 CN disclosed
EP-1033911-A4 USE OF NARROW RANGE ETHOXYLATES OF FATTY ALCOHOLS IN AGRICULTURAL PESTICIDE AND ADJUVANT FORMULATIONS COGNIS CORP (US) 2001-04-04 EP disclosed
EP-1033911-A1 USE OF NARROW RANGE ETHOXYLATES OF FATTY ALCOHOLS IN AGRICULTURAL PESTICIDE AND ADJUVANT FORMULATIONS Cognis Corporation (US) 2000-09-13 EP disclosed
US-6068849-A A PESTICIDE CONCENTRATE CONSISTS OF AN ADJUVANT CONTAINING AN ETHOXYLATED FATTY ACID METHYL ESTER, A SURFACTANT SELECTED FROM NONIONIC, CATIONIC, ANIONIC, SILICON, ALKYL ESTER, MINERAL OIL, ETHERS, CARBONATES, AND HERBICIDES, INSECTICIDES HENKEL CORPORATION (US) 2000-05-30 US disclosed
US-6057267-A Use of fatty alcohol carbonates as solvents in agricultural formulations HENKEL CORPORATION (US) 2000-05-02 US disclosed
WO-1999026472-A1 USE OF NARROW RANGE ETHOXYLATES OF FATTY ALCOHOLS IN AGRICULTURAL PESTICIDE AND ADJUVANT FORMULATIONS COGNIS CORPORATION (US) 1999-06-03 WO disclosed
EP-0900006-A1 EMULSIFIER FOR PESTICIDE CONCENTRATES HENKEL CORPORATION (US) 1999-03-10 EP disclosed
CN-1173281-A Iungicidal silicon-contraining compounds, their preparation and their agrochemical and medicinal uses SANKYO CO (JP) 1998-02-18 CN disclosed
WO-1997040669-A1 EMULSIFIER FOR PESTICIDE CONCENTRATES HENKEL CORPORATION (US) 1997-11-06 WO disclosed