SCHEMBL6971003

SCHEMBL6971003

Cc1ccc2c(c1)NC(=O)CCN2C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
STING1 Q86WV6 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRBN Q96SW2 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 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
SCHEMBL6971185 0.91 L3MBTL1 (0.46) BRD4ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6971266 0.88 L3MBTL1 (0.44) BRD4ALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL6971115 0.87 BRD4 (0.45) BRD4ALDH1A1SMN1; SMN2L3MBTL1STING1
SCHEMBL6970387 0.86 BRD4 (0.52) BRD4ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6970424 0.86 ALDH1A1 (0.48) BRD4ALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6964190 0.84 BRD4 (0.60) BRD4ALDH1A1SMN1; SMN2NPSR1L3MBTL1
SCHEMBL6966939 0.83 TUBB4A (0.46) BRD4ALDH1A1MAPTNPSR1LMNA
SCHEMBL7346895 0.78 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2NPSR1L3MBTL1
SCHEMBL7345342 0.77 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1L3MBTL1LMNA
SCHEMBL6970905 0.76 ALDH1A1 (0.47) BRD4ALDH1A1MAPTSMN1; SMN2NPSR1

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