SCHEMBL7345680

SCHEMBL7345680

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL7373593 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7338369 0.91 TNF (0.42) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7376935 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7335732 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7371731 0.85 KDM4E (0.51) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7344698 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7344542 0.84 MAPT (0.48) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7476833 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL7480971 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EKMT2AGAALMNA
SCHEMBL7347643 0.83 RXRA (0.44) ALDH1A1KDM4EKMT2ALMNAMAPT

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