SCHEMBL9316629

SCHEMBL9316629

CCCCN(N)C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
OPRK1 P41145 4/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
ALOX15 P16050 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL26343359 0.82 KDM4E (0.49) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL14855747 0.79 KDM4E (0.47) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL10458612 0.79 KDM4E (0.55) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL8611143 0.79 KDM4E (0.55) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL19404527 0.78 TP53 (0.58) KDM4EOPRK1GAAALDH1A1LMNA
2-Picolinic Acid SCHEMBL1835275 0.77 LMNA (0.62) KDM4EOPRK1GAAALDH1A1LMNA
2-Picolinic Acid SCHEMBL27681771 0.77 LMNA (0.62) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL30975215 0.76 ALDH1A1 (0.50) KDM4EOPRK1GAAALDH1A1LMNA
SCHEMBL4054017 0.76 HPGD (0.54) GAAALDH1A1CES2CES1HPGD
SCHEMBL31125348 0.75 KDM4E (0.48) KDM4EOPRK1GAAALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP disclosed
CN-1039016-A N '-replacement-N, N '-two replaces the hydrazine insect repellent ROHM & HAAS (US) 1990-01-24 CN disclosed