SCHEMBL8055801

SCHEMBL8055801

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 5/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX12 P18054 2/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.45
OPRK1 P41145 4/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NAPRT Q6XQN6 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 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
SCHEMBL14855747 0.96 KDM4E (0.47) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL10458612 0.81 KDM4E (0.55) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL8611143 0.81 KDM4E (0.55) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL31125348 0.78 KDM4E (0.48) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL8048915 0.77 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL8051194 0.77 HTT (0.53) HTTSMN1; SMN2NPC1RAB9AALOX12
SCHEMBL9316629 0.75 KDM4E (0.49) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL26343359 0.75 KDM4E (0.49) LMNAHTTSMN1; SMN2KDM4EALOX15
SCHEMBL14855424 0.75 TSHR (0.48) LMNAHTTSMN1; SMN2KDM4ENPC1
SCHEMBL19404527 0.74 TP53 (0.58) LMNAKDM4EOPRK1GAAALDH1A1

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