SCHEMBL7584614

SCHEMBL7584614

O=C1c2ccccc2C(=O)N1c1ccc(-c2ccc(N3C(=O)c4ccccc4C3=O)c(Cl)c2)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
NFKB1 P19838 1/20 0.70
PMP22 Q01453 1/20 0.70
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GRM4 Q14833 3/20 0.51
GAA P10253 1/20 0.50
CASP6 P55212 1/20 0.50
GRM1 Q13255 8/20 0.49
PGR P06401 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3825244 0.84 CYP3A4 (0.68) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL31680519 0.82 CYP3A4 (1.00) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL6680554 0.82 MEN1 (0.71) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL3435311 0.82 CYP3A4 (0.66) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL1322530 0.82 CYP3A4 (1.00) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL2549717 0.80 MEN1 (0.73) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL9235862 0.78 SCN2A (0.68) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL11864526 0.77 CYP3A4 (0.59) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL3842952 0.77 CYP3A4 (0.59) CYP3A4NFKB1PMP22MEN1KMT2A
SCHEMBL3843730 0.75 CYP3A4 (0.57) CYP3A4NFKB1PMP22MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773248-B1 Polymers with heterocyclic side groups MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
US-5668245-A PHENYLENE POLYMERS WITH HETEROCYCLIC SIDE GROUPS MAXDEM INCORPORATED (US) 1997-09-16 US disclosed