SCHEMBL9368178

SCHEMBL9368178

O=C(COc1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MAPT P10636 3/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL9948498 0.90 ERCC5 (0.55) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL11470636 0.86 MAPT (0.61) RAB9AMAPTMRGPRX4NPSR1NPC1
SCHEMBL9315524 0.86 NPC1 (0.49) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL6321080 0.85 NPC1 (0.73) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL658106 0.85 MAPT (0.64) RAB9AMAPTMRGPRX4NPSR1NPC1
SCHEMBL6325847 0.83 MAPT (0.64) RAB9AMAPTNPSR1NPC1SMN1; SMN2
SCHEMBL9786924 0.81 MAPT (0.61) RAB9AMAPTNPSR1NPC1SMN1; SMN2
SCHEMBL9315545 0.79 KDM4E (0.47) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL3869644 0.78 ERCC5 (0.56) RAB9AMAPTNPC1SMN1; SMN2POLB
SCHEMBL6205126 0.78 L3MBTL1 (0.60) RAB9AMAPTNPC1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113045390-A Method for preparing triclosan by Baeyer-Villiger oxidation 枣庄市润安制药新材料有限公司 2021-06-29 CN claimed
CN-113045390-A Method for preparing triclosan by Baeyer-Villiger oxidation 枣庄市润安制药新材料有限公司 2021-06-29 CN disclosed
CN-113045390-A Method for preparing triclosan by Baeyer-Villiger oxidation 枣庄市润安制药新材料有限公司 2021-06-29 CN disclosed
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 US disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 EP disclosed