SCHEMBL30745303

SCHEMBL30745303

Cc1cccc(NCCC(C#N)C#N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ LMNA P02545 4/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ ADRA1D P25100 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
SCHEMBL30745300 0.87 MAPT (0.60) MAPTHTTGAALMNAKMT2A
SCHEMBL29690676 0.83 MAPT (0.44) MAPTHTTTP53GAAMAPK1
SCHEMBL11170519 0.78 MAPT (0.67) MAPTHTTTP53GAAMAPK1
SCHEMBL11575405 0.78 HTT (0.49) MAPTHTTTP53GAAMAPK1
SCHEMBL29691338 0.78 HTT (0.49) MAPTHTTTP53GAAMAPK1
SCHEMBL30745304 0.78 MAPT (0.47) MAPTHTTTP53GAAMAPK1
SCHEMBL9654816 0.75 MAPT (0.49) MAPTHTTTP53GAAMAPK1
SCHEMBL10453654 0.75 MAPT (0.56) MAPTHTTTP53GAAMAPK1
SCHEMBL5147315 0.73 MAPT (0.54) MAPTHTTTP53GAAMAPK1
SCHEMBL7996193 0.72 MAPT (0.52) MAPTHTTTP53GAAMAPK1

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
CN-114907216-B Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2024-02-02 — — CN claimed
CN-114907216-B Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2024-02-02 — — CN disclosed
Send feedback