SCHEMBL7346336

SCHEMBL7346336

CCOC(=O)/C=C/CCCOc1cc(C)ccc1N(C)C(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
FDPS P14324 1/20 0.37
TP53 P04637 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7348135 0.86 FDPS (0.39) ALDH1A1KDM4EMAPTFDPSBCHE
SCHEMBL7338369 0.85 TNF (0.42) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7376935 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7373593 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7335810 0.83 RAB9A (0.58) RAB9AALDH1A1KDM4EKMT2ALMNA
SCHEMBL7335804 0.83 RAB9A (0.58) RAB9AALDH1A1KDM4EKMT2ALMNA
SCHEMBL7345680 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7343440 0.82 MAPT (0.49) RAB9AALDH1A1KMT2ALMNAMAPT
SCHEMBL7344542 0.78 MAPT (0.48) RAB9AALDH1A1KDM4EKMT2ALMNA
SCHEMBL7373903 0.78 ALDH1A1 (0.52) RAB9AALDH1A1KDM4EKMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed