SCHEMBL8077040

SCHEMBL8077040

CC1(C)Oc2ccc([N+](=O)[O-])cc2C(n2cc(Cl)cc(N)c2=O)C1(C)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.34
TDP1 Q9NUW8 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
AKR1B1 P15121 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
HIF1A Q16665 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8084307 0.90 ABCC9 (0.35) ABCC9MEN1KMT2AALDH1A1MAPT
SCHEMBL8088707 0.89 ABCC9 (0.34) ABCC9MEN1KMT2AALDH1A1MAPT
SCHEMBL8084422 0.88 TDP1 (0.34) ABCC9TDP1MEN1KMT2ACRHBP
SCHEMBL8090465 0.86 MAPT (0.34) ABCC9TDP1MEN1KMT2ACRHBP
SCHEMBL8085254 0.85 MAPT (0.35) ABCC9MEN1KMT2AMAPTGAA
SCHEMBL8085094 0.85 HSD17B10 (0.35) ABCC9MEN1KMT2AALDH1A1MAPT
SCHEMBL8076915 0.85 ALDH1A1 (0.34) ABCC9MEN1KMT2AALDH1A1GAA
SCHEMBL8084939 0.84 ABCC9 (0.35) ABCC9TDP1MEN1KMT2ACRHBP
SCHEMBL8088875 0.83 ABCC9 (0.34) ABCC9TDP1MEN1KMT2ACRHBP
SCHEMBL8088709 0.82 ABCC9 (0.44) ABCC9

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