SCHEMBL8084273

SCHEMBL8084273

CC1=C(n2cc(Cl)cc([N+](=O)[O-])c2=O)c2cc(C#N)ccc2OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.38
ABCC9 O60706 6/20 0.36
MAPT P10636 2/20 0.32
DCTPP1 Q9H773 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
P2RY6 Q15077 1/20 0.31
MERTK Q12866 2/20 0.31
MIF P14174 1/20 0.31
RAB9A P51151 1/20 0.30
AR P10275 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
SCHEMBL8088791 0.90 ABCC9 (0.39) VCAM1ABCC9MAPTMALT1P2RY6
SCHEMBL8077169 0.89 ABCC9 (0.36) VCAM1ABCC9MAPTMALT1RAB9A
SCHEMBL8084565 0.87 MEN1 (0.36) MAPTMALT1MIF
SCHEMBL8076916 0.86 ABCC9 (0.38) ABCC9MALT1MIF
SCHEMBL8085230 0.86 ABCC9 (0.39) VCAM1ABCC9DCTPP1MALT1P2RY6
SCHEMBL8076882 0.85 ABCC9 (0.37) VCAM1ABCC9MAPTMALT1P2RY6
SCHEMBL8085360 0.84 ABCC9 (0.37) ABCC9MALT1MIF
SCHEMBL8085300 0.82 VCAM1 (0.39) VCAM1ABCC9MAPTMALT1P2RY6
SCHEMBL8088508 0.82 ABCC9 (0.39) VCAM1ABCC9MALT1P2RY6
SCHEMBL9372978 0.81 VCAM1 (0.38) VCAM1ABCC9MAPTP2RY6MERTK

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