SCHEMBL9368173

SCHEMBL9368173

O=C(COc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.57
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
KMO O15229 1/20 0.53
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
MCL1 Q07820 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ADAMTS5 Q9UNA0 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
SCHEMBL11470637 0.86 MCL1 (0.70) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11854200 0.84 MAPT (0.56) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL5310188 0.84 MRGPRX4 (0.51) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28808000 0.83 MCL1 (0.70) MRGPRX4SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL9925462 0.83 KDM4E (0.68) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9786970 0.82 MAPT (0.74) NPC1MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL658106 0.81 MAPT (0.64) MRGPRX4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL29540672 0.81 MCL1 (0.72) MRGPRX4MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL118785 0.81 MCL1 (0.72) MRGPRX4MAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL9786924 0.81 MAPT (0.61) NPC1MAPTRAB9ASMN1; 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