SCHEMBL6970905

SCHEMBL6970905

Cc1cc(C(=O)N2CCC(=O)Nc3cc(Cl)ccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
BLM P54132 1/20 0.46
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
BRD4 O60885 2/20 0.44
TSHR P16473 1/20 0.42
CRBN Q96SW2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPBWR1 P48145 1/20 0.41

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
SCHEMBL6970424 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1BLMMAPT
SCHEMBL6954979 0.88 TUBB4A (0.45) ALDH1A1MAPTMEN1KMT2ABRD4
SCHEMBL6970210 0.87 BRD4 (0.59) ALDH1A1KDM4EL3MBTL1BLMMAPT
SCHEMBL6971115 0.85 BRD4 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6966939 0.79 TUBB4A (0.46) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6971003 0.76 BRD4 (0.45) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6971266 0.75 L3MBTL1 (0.44) ALDH1A1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL6962161 0.75 LMNA (0.49) ALDH1A1KDM4EL3MBTL1BLMMAPT
SCHEMBL6955057 0.74 BRD4 (0.57) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL6970387 0.72 BRD4 (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed