SCHEMBL23966618

SCHEMBL23966618

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.52
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL23908946 0.92 S1PR2 (0.62) S1PR2MEN1KMT2ANPSR1TP53
SCHEMBL23966621 0.91 S1PR2 (0.56) S1PR2MEN1KMT2ANPSR1TP53
SCHEMBL23966656 0.90 S1PR2 (0.50) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23966648 0.85 S1PR2 (0.56) S1PR2MEN1KMT2ATP53SMN1; SMN2
SCHEMBL23966611 0.84 S1PR2 (0.53) S1PR2SMN1; SMN2
SCHEMBL23966604 0.84 S1PR2 (0.54) S1PR2SMN1; SMN2KDM4E
SCHEMBL23966674 0.83 S1PR2 (0.51) S1PR2MEN1KMT2ATP53SMN1; SMN2
SCHEMBL23966599 0.83 S1PR2 (0.51) S1PR2SMN1; SMN2
SCHEMBL23908761 0.83 S1PR2 (0.61) S1PR2MEN1KMT2ATP53CYP1A2
SCHEMBL23909027 0.82 S1PR2 (0.62) S1PR2MEN1KMT2ANPSR1TP53

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