SCHEMBL6970210

SCHEMBL6970210

Cc1cc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.59
MAPT P10636 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 3/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
CRBN Q96SW2 2/20 0.51
BLM P54132 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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 0.89 ALDH1A1 (0.48) BRD4MAPTTDP1MEN1KMT2A
SCHEMBL6970905 0.87 ALDH1A1 (0.47) BRD4MAPTTDP1MEN1KMT2A
SCHEMBL6955057 0.87 BRD4 (0.57) BRD4MAPTTDP1MEN1KMT2A
SCHEMBL6964190 0.82 BRD4 (0.60) BRD4NPSR1HPGDHTTL3MBTL1
SCHEMBL6969301 0.81 BRD4 (0.54) BRD4MAPTTDP1MEN1KMT2A
SCHEMBL6202811 0.80 BRD4 (0.60) BRD4MAPTMEN1KMT2ANPSR1
SCHEMBL6201929 0.80 BRD4 (0.60) BRD4NPSR1HTTCRBNALDH1A1
SCHEMBL7346893 0.78 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1
SCHEMBL6966939 0.77 TUBB4A (0.46) BRD4MAPTTDP1MEN1KMT2A
SCHEMBL6971322 0.76 ALDH1A1 (0.60) BRD4MAPTTDP1MEN1KMT2A

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