SCHEMBL9145408

SCHEMBL9145408

CCOC(=O)/C(=C\Nc1ccc(F)cc1F)C(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
DHODH Q02127 3/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 7/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
POLB P06746 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
SCHEMBL9145411 1.00 MEN1 (0.42) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL5258270 0.89 MEN1 (0.43) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL5258272 0.89 MEN1 (0.43) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL5258612 0.83 MEN1 (0.46) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL5258617 0.83 MEN1 (0.46) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL7841214 0.83 NPSR1 (0.44) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL8696157 0.83 NPSR1 (0.44) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL7432042 0.82 MEN1 (0.59) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL7851531 0.82 NPSR1 (0.43) MEN1KMT2ADHODHGAAKDM4E
SCHEMBL9088978 0.82 MEN1 (0.43) MEN1KMT2ADHODHGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed