SCHEMBL8084588

SCHEMBL8084588

COc1cccn(C2c3cc([N+](=O)[O-])ccc3OC(C)(C)C2(C)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 3/20 0.36
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL8084314 0.90 RECQL (0.43) KMT2AMAPTHTTLMNASMN1; SMN2
SCHEMBL8088718 0.87 HIF1A (0.38) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8084404 0.87 ABCC9 (0.35) KMT2AMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL8084939 0.86 ABCC9 (0.35) KMT2AMAPTHTTALDH1A1GAA
SCHEMBL8088491 0.86 ALDH1A1 (0.36) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL8084968 0.84 HTT (0.37) KMT2AMAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL8084249 0.83 HIF1A (0.35) KMT2AMAPTALDH1A1MEN1L3MBTL1
SCHEMBL8088387 0.82 ABCC9 (0.41) LMNA
SCHEMBL8090587 0.82 CFTR (0.38) MAPTSMN1; SMN2GAA
SCHEMBL8088872 0.81 ABCC9 (0.47) KMT2AMAPTHTTLMNASMN1; SMN2

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 4 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