SCHEMBL7479927

SCHEMBL7479927

COc1cc(C(=O)N(C)c2ccc(C)cc2[N+](=O)[O-])ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
KCNMA1 Q12791 1/20 0.38
PDE5A O76074 1/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7962992 0.83 MEN1 (0.37) MAPTRAB9ALMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL7568330 0.82 MEN1 (0.36) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL7474287 0.79 TP53 (0.44) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL7475104 0.79 TP53 (0.44) MAPTALDH1A1RAB9ALMNAMEN1
SCHEMBL7480096 0.79 GAA (0.42) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL7476249 0.79 TP53 (0.40) ALDH1A1RAB9ANPC1LMNAMEN1
SCHEMBL7973753 0.79 KMT2A (0.46) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7426436 0.78 MAPT (0.43) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL7594888 0.78 KMT2A (0.45) MAPTALDH1A1RAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL7598631 0.78 KMT2A (0.45) MAPTALDH1A1MEN1KMT2AGAA

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