SCHEMBL7276803

SCHEMBL7276803

CC(=O)Nc1ccc(=O)n(C2=C(C)C(C)(C)Oc3ccc(C#N)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.37
DRD3 P35462 6/20 0.37
EGLN2 Q96KS0 3/20 0.36
PGR P06401 2/20 0.36
KDM1A O60341 1/20 0.35
IDO1 P14902 1/20 0.34
ABCC9 O60706 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MOK Q9UQ07 1/20 0.33

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
SCHEMBL8085132 0.87 EGLN2 (0.39) DRD2DRD3EGLN2ABCC9KDM4E
SCHEMBL8077023 0.87 EGLN2 (0.36) DRD2DRD3EGLN2KDM1AABCC9
SCHEMBL8085328 0.85 ABCC9 (0.36) ABCC9KDM4ECYP2C19
SCHEMBL8090111 0.84 RARA (0.36) ABCC9KDM4EALDH1A1CYP2C19
SCHEMBL7267033 0.83 MALT1 (0.35) KDM1AABCC9CYP2C19
SCHEMBL8077233 0.83 ABCC9 (0.40) ABCC9
SCHEMBL8077323 0.82 SMN1; SMN2 (0.40) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8088372 0.81 PDE4A (0.39) DRD2DRD3EGLN2PGRKDM1A
SCHEMBL8084526 0.81 ABCC9 (0.36) DRD2DRD3EGLN2ABCC9KDM4E
SCHEMBL8084925 0.81 EGLN2 (0.33) DRD2DRD3EGLN2ABCC9KDM4E

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 6 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-0346724-A1 Chroman derivates MERCK PATENT GmbH (DE) 1989-12-20 EP disclosed
EP-0340718-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1989-11-08 EP disclosed