SCHEMBL6535265

SCHEMBL6535265

Oc1cc(-c2ccccc2)nc(-c2ncccn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
NTSR1 P30989 1/20 0.50
TOP1 P11387 1/20 0.45
IDH1 O75874 1/20 0.44
ADORA1 P30542 3/20 0.43
CYP19A1 P11511 2/20 0.43
ADORA2A P29274 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL6535345 0.86 MEN1 (0.56) MEN1KMT2ANTSR1TOP1IDH1
SCHEMBL3307656 0.84 MEN1 (0.68) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL4803909 0.81 KMT2A (0.59) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL20870697 0.76 MEN1 (0.53) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL3451123 0.76 MEN1 (0.52) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL4808050 0.75 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL10968230 0.75 MEN1 (0.61) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL9920492 0.75 MEN1 (0.68) MEN1KMT2ANTSR1ADORA1ADORA2A
SCHEMBL19009541 0.75 MEN1 (0.66) MEN1KMT2ANTSR1TOP1ADORA1
SCHEMBL17944844 0.75 MEN1 (0.66) MEN1KMT2ANTSR1TOP1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994834-A4 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA INC (US) 2004-12-29 EP disclosed
EP-0994834-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 2000-04-26 EP disclosed
WO-1998050333-A1 LIGATED PLATINUM GROUP METAL CATALYST COMPLEX AND IMPROVED PROCESS FOR CATALYTICALLY CONVERTING ALKANES TO ESTERS AND DERIVATIVES THEREOF CATALYTICA, INC. (US) 1998-11-12 WO disclosed