SCHEMBL6964153

SCHEMBL6964153

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 3/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL6971802 0.90 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6970194 0.89 LMNA (0.52) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6969348 0.88 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6962852 0.87 CA1 (0.43) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6955643 0.87 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL6966483 0.86 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6965972 0.86 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL6969398 0.80 ALDH1A1 (0.42) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL7140109 0.80 L3MBTL1 (0.45) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL6955924 0.79 LMNA (0.47) KMT2AMEN1MAPTLMNAALDH1A1

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