SCHEMBL9218033

SCHEMBL9218033

N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCCCC2)o1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 8/20 0.34
DPP7 Q9UHL4 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9218017 1.00 ACHE (0.47) ACHEKDM4EGAAHRH3DPP7
SCHEMBL9217125 0.99 ACHE (0.46) ACHEKDM4EGAAHRH3DPP7
Fumaric Acid SCHEMBL29754133 0.93 ACHE (0.44) ACHEKDM4EGAAHRH3
SCHEMBL9213773 0.91 ACHE (0.38) ACHEKDM4EHRH3ALDH1A1CYP3A4
SCHEMBL9212797 0.90 ACHE (0.38) ACHE
SCHEMBL9208005 0.89 ACHE (0.37) ACHEHRH3
SCHEMBL9217083 0.88 ACHE (0.36) ACHEKDM4EHRH3ALDH1A1SMN1; SMN2
SCHEMBL9276600 0.88 ACHE (0.37) ACHEKDM4EHRH3ALDH1A1HPGD
SCHEMBL9273208 0.87 ACHE (0.36) ACHEKDM4EGAAHRH3ALDH1A1
SCHEMBL9210553 0.86 ACHE (0.37) ACHEALDH1A1

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-0413343-B1 Furan derivatives KYOWA HAKKO KOGYO KK (JP) 1995-08-02 EP disclosed
US-5075301-A FURAN DERIVATIVES USEFUL FOR THE TREATMENT OF GASTRO-INTESTINAL DISORDERS KYOWA HAKKO KOGYO, CO., LTD. (JP) 1991-12-24 US disclosed