SCHEMBL7424717

SCHEMBL7424717

COc1cc(C(=O)N(C)c2ccc(C)cc2[N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HCAR3 P49019 4/20 0.46
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 2/20 0.42
TTR P02766 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL7426436 0.90 MAPT (0.43) MAPTHCAR3KDM4EGAASMN1; SMN2
SCHEMBL7374234 0.81 MAPT (0.44) MAPTHCAR3KDM4EGAATTR
SCHEMBL7373360 0.80 MAPT (0.43) MAPTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7479927 0.77 MAPT (0.40) MAPTGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL7347643 0.76 RXRA (0.44) MAPTHCAR3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7344542 0.75 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL7345680 0.74 ALDH1A1 (0.43) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL7376935 0.74 ALDH1A1 (0.43) MAPTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7373593 0.74 ALDH1A1 (0.43) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL7371278 0.73 ALDH1A1 (0.44) MAPTGAASMN1; SMN2ALDH1A1KMT2A

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed