SCHEMBL8086115

SCHEMBL8086115

N#CCC1=C[N]c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 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
SCHEMBL1091565 0.71 GPR84 (0.35) LMNA
SCHEMBL9754870 0.71 ALDH1A1 (0.39) MAPTALDH1A1HPGD
SCHEMBL8087155 0.69 AKR1B1 (0.42) LMNAALDH1A1
SCHEMBL595273 0.68 ALDH1A1 (0.35) MAPTKMT2AALDH1A1ATM
SCHEMBL29261888 0.68 HTR6 (0.43)
SCHEMBL11739195 0.64 GPR84 (0.36) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL1132530 0.64 SLC7A5 (0.50) MEN1MAPTKMT2ALMNA
SCHEMBL2159745 0.63 IDO1 (0.33) MAPTLMNAALDH1A1HPGD
SCHEMBL3096746 0.63 APAF1 (0.33) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL323144 0.63 CYP1A2 (0.33) MEN1MAPTKMT2ALMNAALDH1A1

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
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed