SCHEMBL7344697

SCHEMBL7344697

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCC(N(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KDM4E B2RXH2 7/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
TMPRSS2 O15393 1/20 0.34

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
SCHEMBL7344698 0.91 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7998690 0.84 NPC1 (0.41) KDM4EKMT2AMEN1POLB
SCHEMBL8010692 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL8010702 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7345680 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7335732 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7338676 0.80 AVPR2 (0.40) LMNAPOLBMAPTTP53GAA
Hydrochloric Acid SCHEMBL7780856 0.80 AVPR2 (0.39) LMNAMAPTTP53GAA
SCHEMBL7373593 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL7343093 0.79 POLB (0.39) ALDH1A1KDM4ELMNAPOLBMAPT

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
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