SCHEMBL8085103

SCHEMBL8085103

CC(=O)Nc1cccn(C2=C(C)C(C)(C)Oc3ccc([N+](=O)[O-])cc32)c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
RORC P51449 6/20 0.37
CYP19A1 P11511 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8085097 0.85 CFTR (0.38) CFTRSMN1; SMN2CYP19A1HTTCYP1A2
SCHEMBL8084420 0.85 CFTR (0.38) CFTRSMN1; SMN2RORCCYP19A1MAPT
SCHEMBL8084426 0.84 ALDH1A1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL8088675 0.84 RECQL (0.44) SMN1; SMN2MAPTHTTLMNAMAOB
SCHEMBL8090492 0.83 KDM4E (0.36) MAPTHTTMAOBMEN1PKM
SCHEMBL8077334 0.83 ALDH1A1 (0.38) MAPTMEN1KMT2AALDH1A1
SCHEMBL8085335 0.83 ABCC9 (0.35) SMN1; SMN2MAPTGAAMEN1PKM
SCHEMBL8076907 0.82 TDP1 (0.37) CFTRHTTMEN1KMT2AALDH1A1
SCHEMBL8077303 0.82 ALDH1A1 (0.36) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL8084289 0.82 CFTR (0.41) CFTRSMN1; SMN2RORCCYP19A1MAPT

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