SCHEMBL27937271

SCHEMBL27937271

O=c1ccn2c(c1)CC=C2.[H+]

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL27298768 0.70
SCHEMBL30874385 0.66
SCHEMBL30696109 0.66
SCHEMBL8928367 0.58 ALDH1A1 (0.35) ALDH1A1GAA
SCHEMBL28011280 0.55
Water SCHEMBL30136134 0.53
SCHEMBL791652 0.49
SCHEMBL18117007 0.48
SCHEMBL17233963 0.47
SCHEMBL722089 0.45

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101247853-B Substituted indole compounds having NOS inhibitory activity NEURAXON INC 2014-11-12 CN disclosed
CN-103596951-A 8-ethyl-6-(aryl)pyrido [2,3-d]pyrimidin-7(8h)-ones for the treatment of nervous system disorders and cancer AFRAXIS INC 2014-02-19 CN disclosed