SCHEMBL6068331

SCHEMBL6068331

Cc1cc(-c2nnn3c2nc(OC(C)c2c[nH]nn2)c2ccccc23)no1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GABRA1 P14867 5/20 0.35
GABRG2 P18507 5/20 0.35
GABRB3 P28472 5/20 0.35
GABRA5 P31644 5/20 0.35
GABRA3 P34903 5/20 0.35
GABRA2 P47869 5/20 0.35
POLB P06746 5/20 0.35
TP53 P04637 5/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL6068706 0.83 POLB (0.36) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068441 0.82 MAPT (0.37) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068576 0.73 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6068326 0.72 GABRA1 (0.62) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068712 0.71 GABRA1 (0.46) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068720 0.71 GABRG2 (0.49) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068711 0.71 GABRA1 (0.46) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL6068549 0.71 MEN1 (0.45) RXFP1KMT2AMEN1GABRA1GABRG2
SCHEMBL7212792 0.71 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6068550 0.70 RXFP1 (0.47) RXFP1KMT2AMEN1POLBTP53

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
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US claimed
US-7144887-B2 Substituted 1,2,3-triazolo[1,5-a]quinazolines for enhancing cognition MERCK SHARP & DOHME LTD. (GB) 2006-12-05 US disclosed