SCHEMBL7269286

SCHEMBL7269286

COC(=O)c1ccc2c(c1)C(n1cccc([N+](=O)[O-])c1=O)C(C)(O)C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
VCAM1 P19320 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 6/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 4/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ABCC4 O15439 1/20 0.35
PLIN1 O60240 1/20 0.35
CACNA1F O60840 1/20 0.35
GMNN O75496 1/20 0.35
KCNK2 O95069 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL8084404 0.86 ABCC9 (0.35) KMT2AMEN1SMN1; SMN2MAPTHPGD
SCHEMBL7277059 0.85 KDM4E (0.35) KMT2ASMN1; SMN2MAPTGAAHPGD
SCHEMBL8088870 0.83 ABCC9 (0.40) KMT2AMEN1VCAM1SMN1; SMN2MAPT
SCHEMBL8085342 0.82 ALOX5 (0.39) SMN1; SMN2ALDH1A1LMNAOPRM1HSD17B10
SCHEMBL8088852 0.81 ABCC9 (0.43) LMNAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL8084588 0.77 KMT2A (0.39) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL8090273 0.77 RAB9A (0.34) KMT2AMEN1SMN1; SMN2MAPTHPGD
SCHEMBL8084314 0.76 RECQL (0.43) KMT2ASMN1; SMN2MAPTGAAALDH1A1
SCHEMBL8088718 0.76 HIF1A (0.38) KMT2AMEN1SMN1; SMN2MAPTGAA
SCHEMBL8084968 0.76 HTT (0.37) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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