SCHEMBL8872079

SCHEMBL8872079

CCOC(=O)C(C#N)=C1CN2CCC[C@@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
MAPT P10636 6/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 4/20 0.37
RAB9A P51151 4/20 0.35
NPC1 O15118 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8871861 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8873269 0.99 ALDH1A1 (0.41) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL5931841 0.84 MAPT (0.46) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL5931837 0.84 MAPT (0.46) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL7820402 0.81 CHRNB2 (0.36)
SCHEMBL7820404 0.81 CHRNB2 (0.36)
SCHEMBL19382162 0.70 MAPT (0.48) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL7254100 0.70 MAPT (0.44) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL6381203 0.69 MAPT (0.47) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL6381199 0.69 MAPT (0.47) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A

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
US-5612351-A AZABICYCLIC DERIVATIVES OF 1,2,3-OXA(OR THIA)DIAZOLE NOVO NORDISK A/S (DK) 1997-03-18 US disclosed