SCHEMBL8084793

SCHEMBL8084793

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.39
VCAM1 P19320 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MYC P01106 1/20 0.37
MAX P61244 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 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
SCHEMBL8088847 0.82 MYC (0.38) CFTRVCAM1MEN1KMT2ARXFP1
SCHEMBL7268034 0.81 ALOX5 (0.40) CFTRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7277069 0.80 PDE4A (0.39) VCAM1LMNAHTTMAPTPOLB
SCHEMBL10695615 0.76 MAPT (0.40) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL7299515 0.76 KDM4E (0.33) KMT2AMAPTPOLBGAAALDH1A1
SCHEMBL8088445 0.75 ADORA3 (0.41) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL8085141 0.75 RECQL (0.44) LMNASMN1; SMN2HTTMAPTPOLB
SCHEMBL7291289 0.75 CCNC (0.34) KMT2ALMNAHTTMAPTPOLB
SCHEMBL10697020 0.75 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL8088352 0.75 KDM4E (0.37) MEN1KMT2AMYCMAXSMN1; 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 2 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