SCHEMBL9212495

SCHEMBL9212495

CCN1C(=O)c2cc(N)cnc2Sc2cc(C)cc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9099714 0.91 TP53 (0.35) MAPTTP53ALDH1A1
SCHEMBL9100834 0.87 TP53 (0.34) MAPTTP53
SCHEMBL9098811 0.84 MAPT (0.32) MAPTTP53ALDH1A1
SCHEMBL9100443 0.81 TP53 (0.30) MAPTTP53
SCHEMBL9097611 0.75 MAPT (0.36) MAPT
SCHEMBL19798776 0.70 MAPT (0.34) MAPTALDH1A1RAB9A
SCHEMBL9101169 0.70 NR1H2 (0.38) MAPTTP53ALDH1A1RAB9A
SCHEMBL9101666 0.68 MAPT (0.34) MAPT
SCHEMBL9100099 0.63 RAF1 (0.32) MAPTALDH1A1
SCHEMBL19798775 0.62 RAPGEF4 (0.38) MAPTTP53ALDH1A1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP claimed