SCHEMBL9218568

SCHEMBL9218568

CN(CCN1CCNC1=C(C#N)C#N)Cc1ccc(CN2CCCCC2)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL9852487 0.87 HRH3 (0.34) HRH3KDM4EGAANPC1ALDH1A1
SCHEMBL9218010 0.87 HRH3 (0.34) HRH3KDM4EGAANPC1ALDH1A1
SCHEMBL9852528 0.87 HRH3 (0.36) HRH3KDM4EGAAALDH1A1KMT2A
SCHEMBL9218033 0.81 ACHE (0.47) HRH3KDM4EGAANPC1ALDH1A1
SCHEMBL9218017 0.81 ACHE (0.47) HRH3KDM4EGAANPC1ALDH1A1
SCHEMBL9217125 0.80 ACHE (0.46) HRH3KDM4EGAA
SCHEMBL9213764 0.78 HTT (0.36) HRH3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9218332 0.78 HRH3 (0.32) HRH3
SCHEMBL9212791 0.78 PRKCQ (0.30)
SCHEMBL9207992 0.77 HRH3 (0.31) HRH3

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
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
EP-0413343-A2 Furan derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-02-20 EP disclosed