SCHEMBL7376368

SCHEMBL7376368

CCOC(=O)CCCCCSc1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GSTP1 P09211 3/20 0.37
GSTM2 P28161 3/20 0.37
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7378207 0.86 PTGDR2 (0.41) ALDH1A1KMT2ALMNAMAPTPTGDR2
SCHEMBL7337134 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7368764 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7369802 0.80 MAPT (0.58) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7368736 0.79 KMT2A (0.46) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7368288 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7368292 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7368291 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL7373440 0.76 AVPR2 (0.41) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL7377964 0.75 POLB (0.56) ALDH1A1KMT2AMAPK1LMNAMAPT

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