SCHEMBL23966656

SCHEMBL23966656

C=CCC(F)COc1cc2nc(Cc3nn(CC(=O)N(C)CCS(C)(=O)=O)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.50
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL23908898 0.92 S1PR2 (0.59) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23966618 0.90 S1PR2 (0.52) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23966648 0.85 S1PR2 (0.56) S1PR2MEN1KMT2ATP53
SCHEMBL23966604 0.83 S1PR2 (0.54) S1PR2
SCHEMBL23908761 0.83 S1PR2 (0.61) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23966674 0.83 S1PR2 (0.51) S1PR2MEN1KMT2ATP53
SCHEMBL23966611 0.82 S1PR2 (0.53) S1PR2
SCHEMBL23966657 0.82 S1PR2 (0.54) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23908946 0.82 S1PR2 (0.62) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23966621 0.81 S1PR2 (0.56) S1PR2MEN1KMT2ATP53CYP1A2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed