SCHEMBL7369802

SCHEMBL7369802

CCOC(=O)CCCCCSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.50
NPC1 O15118 2/20 0.47
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
SNCA P37840 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PLK1 P53350 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL7372599 0.80 GAA (0.55) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL7376368 0.80 ALDH1A1 (0.48) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL7377419 0.77 SNCA (0.51) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL7377424 0.77 SNCA (0.51) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL7377422 0.76 SNCA (0.52) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL8163327 0.76 CETP (0.55) MAPTALDH1A1GSTP1GSTM2HDAC3
SCHEMBL2772970 0.75 MAPT (0.52) MAPTALDH1A1LMNAKMT2AMAPK1
SCHEMBL28348662 0.75 ALDH1A1 (1.00) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL8164564 0.75 CETP (0.51) ALDH1A1GSTP1GSTM2HDAC3HDAC1
SCHEMBL13985090 0.74 MAPT (0.53) MAPTALDH1A1LMNANPC1KMT2A

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