SCHEMBL6971115

SCHEMBL6971115

O=C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
MGLL Q99685 1/20 0.44
STING1 Q86WV6 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PGR P06401 1/20 0.43
CRBN Q96SW2 1/20 0.43
DRD4 P21917 1/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6971003 0.87 BRD4 (0.45) BRD4STING1MEN1KMT2AL3MBTL1
SCHEMBL6970905 0.85 ALDH1A1 (0.47) BRD4MEN1KMT2AL3MBTL1CRBN
SCHEMBL6970387 0.84 BRD4 (0.52) BRD4MEN1KMT2AALDH1A1LMNA
SCHEMBL6964190 0.84 BRD4 (0.60) BRD4STING1L3MBTL1CRBNALDH1A1
SCHEMBL6971266 0.83 L3MBTL1 (0.44) BRD4STING1L3MBTL1CRBNALDH1A1
SCHEMBL6954979 0.82 TUBB4A (0.45) BRD4MEN1KMT2APGRCRBN
SCHEMBL6971185 0.80 L3MBTL1 (0.46) BRD4STING1MEN1KMT2AL3MBTL1
SCHEMBL7350595 0.78 PGR (0.50) MGLLMEN1KMT2APGRRECQL
SCHEMBL7352139 0.77 AVPR2 (0.52) MGLLMEN1KMT2APGRALDH1A1
SCHEMBL7349035 0.76 PGR (0.50) MGLLMEN1KMT2AL3MBTL1PGR

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