SCHEMBL9243283

SCHEMBL9243283

N#CC(c1ccccc1)(c1ccncc1)C(C#N)(c1ccccc1)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
ATM Q13315 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36
CYP2D6 P10635 3/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL296760 0.86 ATM (0.43) ALDH1A1TSHRRAB9AATMCYP2D6
SCHEMBL11153380 0.84 KIF11 (0.43) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL9052398 0.77 NOTUM (0.48) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL4339462 0.74 NOTUM (0.50) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL11626646 0.72 DRD2 (0.50) KIF11RAB9AATMCYP2D6DRD2
SCHEMBL5309862 0.72 CYP19A1 (0.50) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL28827192 0.71 CYP2D6 (0.40) ALDH1A1RAB9AATMCYP2D6DRD2
SCHEMBL9203753 0.70 KCNN4 (0.70) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL9203743 0.70 NOTUM (0.46) KIF11NOTUMALDH1A1TSHRSLC6A2
SCHEMBL26294659 0.70 ALDH1A1 (0.55) KIF11NOTUMALDH1A1TSHRSLC6A2

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
EP-0672652-A1 Stabilizers for the prevention of polymerization of (meth)acrylic acid and esters thereof CIBA-GEIGY AG (CH) 1995-09-20 EP disclosed