SCHEMBL8085089

SCHEMBL8085089

CC1=C(n2cc(Cl)ccc2=O)c2cc([N+](=O)[O-])ccc2OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MIF P14174 1/20 0.34
MDM2 Q00987 3/20 0.34
NPC1 O15118 1/20 0.34
PTPRC P08575 1/20 0.33
S100A4 P26447 1/20 0.33
CASP1 P29466 1/20 0.33
CASP3 P42574 1/20 0.33
CASP4 P49662 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
CASP6 P55212 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 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
SCHEMBL8085417 0.91 MALT1 (0.37) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8085054 0.87 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8085063 0.87 CA9 (0.35) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8077012 0.86 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8084565 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8085346 0.84 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8090686 0.84 CA9 (0.42) MEN1KMT2AALDH1A1MALT1TDP1
SCHEMBL8088643 0.84 CYP3A4 (0.36) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8084975 0.83 HSD17B10 (0.37) MEN1KMT2AALDH1A1MAPTMALT1
SCHEMBL8077323 0.83 SMN1; SMN2 (0.40) MEN1KMT2AALDH1A1MAPTCYP3A4

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