SCHEMBL6811399

SCHEMBL6811399

COc1ccc(OC)c(-c2cn(/N=C/c3ccccc3)c(N)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
TAAR1 Q96RJ0 1/20 0.57
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
MAPK10 P53779 1/20 0.41
RECQL P46063 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TLR9 Q9NR96 2/20 0.39

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
SCHEMBL6811402 1.00 MAPT (0.67) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6811797 0.87 MAPT (0.64) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6811795 0.87 MAPT (0.64) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6811992 0.82 MAPT (0.77) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6811998 0.82 MAPT (0.77) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7858387 0.80 MAPT (1.00) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6811781 0.74 TLR9 (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6812618 0.72 MAPT (0.94) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL6812622 0.72 MAPT (0.94) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8898616 0.69 L3MBTL1 (0.46) MAPTALDH1A1MEN1KMT2AMAPK1

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
EP-0808309-B1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS S-ADENOSYLMETHIONINE DECARBOXYLASE (=SAMDC) INHIBITORS NOVARTIS AG (CH) 2004-10-06 EP disclosed
US-5840911-A ANTIPROTOZOA, ANTITUMOR NOVARTIS AG (CH) 1998-11-24 US disclosed