SCHEMBL7954388

SCHEMBL7954388

COc1cc(C(=O)N(C)c2ccccc2C2=NC(C)(C)CO2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
CHEK1 O14757 2/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CA P42336 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
ABCB1 P08183 2/20 0.35
PDE5A O76074 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL7965790 0.85 KCNMA1 (0.41) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL7423430 0.84 PIK3CA (0.36) MAPTHTTCHEK1ALDH1A1PIK3CA
SCHEMBL7967008 0.84 PIK3CA (0.36) LMNAMAPTCHEK1ALDH1A1RAB9A
SCHEMBL7964711 0.82 PDE5A (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7967293 0.82 KCNMA1 (0.38) MAPTHTTALDH1A1NPC1RAB9A
SCHEMBL7371553 0.77 ALDH1A1 (0.46) LMNAMAPTHTTALDH1A1SMN1; SMN2
SCHEMBL7371278 0.76 ALDH1A1 (0.44) LMNAMAPTALDH1A1SMN1; SMN2GPBAR1
SCHEMBL7963323 0.75 DHODH (0.37) MAPTHTTALDH1A1TSHR
SCHEMBL7485636 0.75 PIK3CA (0.35) MAPTHTTCHEK1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL7594361 0.74 DHODH (0.36) MAPTHTTALDH1A1NPC1RAB9A

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 2 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