SCHEMBL8085335

SCHEMBL8085335

CC(=O)Nc1cccn(C2=C(C)C(C)(C)Oc3ccc(C#N)cc32)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.35
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
TYK2 P29597 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
SETDB1 Q15047 1/20 0.31
DYRK1A Q13627 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
SCHEMBL7277508 0.87 ABCC9 (0.34) ABCC9MALT1
SCHEMBL8084526 0.85 ABCC9 (0.36) ABCC9KDM4EEGLN2DRD2DRD3
SCHEMBL8084925 0.85 EGLN2 (0.33) ABCC9KDM4EEGLN2MALT1DRD2
SCHEMBL8076917 0.84 ABCC9 (0.38) ABCC9KDM4EMALT1
SCHEMBL8088855 0.84 ABCC9 (0.35) ABCC9KDM4EMALT1
SCHEMBL8077117 0.83 ABCC9 (0.36) ABCC9KDM4EMALT1
SCHEMBL8085103 0.83 CFTR (0.41) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8090488 0.82 ABCC9 (0.36) ABCC9MALT1
SCHEMBL7268194 0.82 ABCC9 (0.36) ABCC9MALT1
SCHEMBL9372276 0.82 ABCC9 (0.34) ABCC9KDM4ESMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153627-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-28 US disclosed
US-6040308-A Chroman derivatives MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-21 US disclosed
US-5387587-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5013853-A Chroman derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-05-07 US disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed