SCHEMBL6965972

SCHEMBL6965972

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MGLL Q99685 2/20 0.41
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.37
PPARG P37231 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37

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 0.89 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1KCNJ1KCNH2
SCHEMBL6967645 0.88 LOXL2 (0.40) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL6970194 0.87 LMNA (0.52) SMN1; SMN2KMT2AMEN1MGLLKCNJ1
SCHEMBL6969348 0.87 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AMEN1KCNJ1KCNH2
SCHEMBL6964153 0.86 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1MGLLALDH1A1
SCHEMBL6955643 0.86 L3MBTL1 (0.46) SMN1; SMN2KMT2AMEN1KCNJ1KCNH2
SCHEMBL6966483 0.85 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1KCNJ1KCNH2
SCHEMBL6964263 0.78 ALDH1A1 (0.42) SMN1; SMN2KMT2AMEN1MGLLALDH1A1
SCHEMBL6969126 0.77 L3MBTL1 (0.45) SMN1; SMN2KMT2AMEN1KCNJ1KCNH2
SCHEMBL6962161 0.76 LMNA (0.49) SMN1; SMN2KMT2AMEN1MGLLALDH1A1

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 2 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
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed