SCHEMBL6996954

SCHEMBL6996954

CC1=C(N)Nc2cc(C(C)(N)c3ccncc3)ccc2O1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 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
Hydrochloric Acid SCHEMBL7001586 0.86 CYP19A1 (0.35)
SCHEMBL7988325 0.82 ALDH1A1 (0.36) ACE2
SCHEMBL7001776 0.80 ACE2 (0.35) ACE2
Hydrochloric Acid SCHEMBL6988641 0.79 ACE2 (0.34) ACE2
SCHEMBL6999042 0.77 ACE2 (0.47) ACE2
SCHEMBL7708011 0.76 LATS1 (0.34)
Hydrochloric Acid SCHEMBL7002857 0.75
SCHEMBL6996396 0.75 PIKFYVE (0.31)
SCHEMBL5671424 0.72 MMP12 (0.45)
SCHEMBL5670589 0.69 AHR (0.39)

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 EP claimed