SCHEMBL7673883

SCHEMBL7673883

Cc1cc(-c2nncc3c(Br)c(O)nn23)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.44
GABRG2 P18507 7/20 0.44
GABRB3 P28472 7/20 0.44
GABRA5 P31644 7/20 0.44
GABRA3 P34903 7/20 0.44
GABRA2 P47869 7/20 0.44
GABRA4 P48169 2/20 0.44
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GABRA6 Q16445 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7665902 0.82 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7690061 0.76 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7663093 0.73 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7663082 0.72 GABRG2 (0.77) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17364046 0.69 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5228723 0.67 GABRG2 (0.44) GABRA1GABRG2GABRB3GABRA3
SCHEMBL23554472 0.66 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7475422 0.66 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7001174 0.62 ALDH1A1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15286864 0.60 RAB9A (0.42) ALDH1A1MAPTNPC1RAB9APOLB

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
US-6355638-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LTD. (GB) 2002-03-12 US disclosed