SCHEMBL8090465

SCHEMBL8090465

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
ABCC9 O60706 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AKR1B1 P15121 2/20 0.31
PDE7A Q13946 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30
HIF1A Q16665 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
SCHEMBL8085094 0.91 HSD17B10 (0.35) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8084307 0.90 ABCC9 (0.35) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8088875 0.89 ABCC9 (0.34) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8077040 0.86 ABCC9 (0.34) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8084243 0.85 ABCC9 (0.33) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8077294 0.84 KMT2A (0.41) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8088491 0.84 ALDH1A1 (0.36) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8088707 0.83 ABCC9 (0.34) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8084422 0.82 TDP1 (0.34) MAPTABCC9ALDH1A1KMT2AMEN1
SCHEMBL8085038 0.82 MEN1 (0.37) MAPTABCC9ALDH1A1KMT2AMEN1

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