SCHEMBL11079775

SCHEMBL11079775

COC(=O)C(C)Nc1c(C)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 3/20 0.45
MAPK14 Q16539 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
GAA P10253 1/20 0.42
PTGS2 P35354 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 2/20 0.41
PYGL P06737 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
RECQL P46063 1/20 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
Glycine SCHEMBL11334765 0.91 PTGS2 (0.44) CXCL8MAPK14PDK1PDK2PDK3
SCHEMBL11761427 0.90 CXCL8 (0.44) CXCL8PDK1PDK2PDK3PDK4
SCHEMBL1677057 0.89 MAPK1 (0.47) MAPK1MEN1LMNAKMT2ANLRP3
SCHEMBL6264671 0.89 MAPK1 (0.47) MAPK1MEN1LMNAKMT2ANLRP3
SCHEMBL8039768 0.89 MAPK1 (0.47) MAPK1MEN1LMNAKMT2ANLRP3
SCHEMBL11338250 0.88 CXCL8 (0.43) CXCL8MAPK14PDK1PDK2PDK3
SCHEMBL11338246 0.88 CXCL8 (0.43) CXCL8MAPK14PDK1PDK2PDK3
SCHEMBL11347040 0.86 HTT (0.43) CXCL8MAPK14PDK1PDK2PDK3
SCHEMBL11347039 0.86 HTT (0.43) CXCL8MAPK14PDK1PDK2PDK3
SCHEMBL11336321 0.84 MAPK1 (0.43) CXCL8MAPK14PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0046497-B1 N-DISUBSTITUTED ANILINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MICROBICIDES, AND COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-11-28 EP disclosed
US-4410538-A THIADIAZOLYLCARBONYL-CUBSTITUTED BASF AKTIENGESELLSCHAFT (DE) 1983-10-18 US disclosed
EP-0046497-A2 N-disubstituted aniline derivatives, their preparation, their use as microbicides, and compositions BASF Aktiengesellschaft (DE) 1982-03-03 EP disclosed
US-4032657-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1977-06-28 US disclosed