SCHEMBL8048915

SCHEMBL8048915

CCCCCN([C]=O)NC(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MITF O75030 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
ALOX12 P18054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL8055801 0.77 LMNA (0.46) SMN1; SMN2LMNAHTTALOX15KDM4E
SCHEMBL1101299 0.74 SMN1; SMN2 (0.72) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL14855747 0.73 KDM4E (0.47) SMN1; SMN2LMNAHTTALOX15KDM4E
SCHEMBL20340796 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL14786047 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL24795619 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL9095557 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL9941474 0.72 SMN1; SMN2 (0.70) SMN1; SMN2ALOX15KDM4EALDH1A1ALOX12
SCHEMBL8611143 0.72 KDM4E (0.55) SMN1; SMN2LMNAHTTALOX15KDM4E
SCHEMBL10458612 0.72 KDM4E (0.55) SMN1; SMN2LMNAHTTALOX15KDM4E

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-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US claimed