SCHEMBL8076882

SCHEMBL8076882

CC1=C(n2cccc([N+](=O)[O-])c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 7/20 0.37
MAPT P10636 3/20 0.35
VCAM1 P19320 1/20 0.34
MALT1 Q9UDY8 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RAB9A P51151 1/20 0.31
AR P10275 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
P2RY6 Q15077 1/20 0.30
ABCB1 P08183 2/20 0.30
EP300 Q09472 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
SCHEMBL8077334 0.87 ALDH1A1 (0.38) MAPTMALT1POLBTDP1KMT2A
SCHEMBL8088791 0.86 ABCC9 (0.39) ABCC9MAPTVCAM1MALT1POLB
SCHEMBL8077169 0.85 ABCC9 (0.36) ABCC9MAPTVCAM1MALT1RAB9A
SCHEMBL8084273 0.85 VCAM1 (0.38) ABCC9MAPTVCAM1MALT1RAB9A
SCHEMBL8076917 0.84 ABCC9 (0.38) ABCC9MALT1ABCB1
SCHEMBL8090488 0.84 ABCC9 (0.36) ABCC9MALT1ABCB1
SCHEMBL7268194 0.84 ABCC9 (0.36) ABCC9MALT1ABCB1
SCHEMBL8090777 0.82 PDE4A (0.38) ABCC9MALT1ARKMT2AMEN1
SCHEMBL8077117 0.81 ABCC9 (0.36) ABCC9MALT1ABCB1
SCHEMBL7277069 0.81 PDE4A (0.39) ABCC9MAPTVCAM1MALT1POLB

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