SCHEMBL7373360

SCHEMBL7373360

COc1cc(C(=O)Oc2cc(C)ccc2N(C)C(=O)c2ccc([N+](=O)[O-])c(OC)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL7370750 0.87 ALDH1A1 (0.47) MAPTTDP1ALDH1A1LMNAL3MBTL1
SCHEMBL7374234 0.87 MAPT (0.44) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL7338638 0.85 MAPT (0.46) MAPTALDH1A1LMNAL3MBTL1KMT2A
SCHEMBL7347643 0.83 RXRA (0.44) MAPTALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL7373593 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL7376935 0.83 ALDH1A1 (0.43) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL7344542 0.82 MAPT (0.48) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL7345680 0.81 ALDH1A1 (0.43) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL7377386 0.81 MAPT (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7426436 0.81 MAPT (0.43) MAPTALDH1A1LMNAL3MBTL1KDM4E

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed