SCHEMBL7368736

SCHEMBL7368736

CCOC(=O)CCCCCOc1ncccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 6/20 0.41
LMNA P02545 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 3/20 0.39
TBXAS1 P24557 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL7337134 0.87 ALDH1A1 (0.49) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7378158 0.86 TBXAS1 (0.41) ALDH1A1TDP1L3MBTL1MAPTLMNA
SCHEMBL7373301 0.86 MAPK1 (0.45) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7368764 0.82 ALDH1A1 (0.46) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7376368 0.79 ALDH1A1 (0.48) KMT2AMAPK1ALDH1A1TDP1MAPT
SCHEMBL7374705 0.78 LMNA (0.49) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7368288 0.77 ALDH1A1 (0.44) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7368292 0.77 ALDH1A1 (0.44) KMT2AMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7376764 0.76 PPARG (0.42) KMT2AMAPK1ALDH1A1MAPTLMNA
SCHEMBL7377964 0.75 POLB (0.56) KMT2AMAPK1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed