SCHEMBL7967293

SCHEMBL7967293

COc1cc(C(=O)N(C)c2ccccc2C2=NC(C)(C)CO2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE5A O76074 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 2/20 0.35
ABCB1 P08183 2/20 0.35
G6PD P11413 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 1/20 0.35
MTTP P55157 2/20 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 0.88 KCNMA1 (0.41) KCNMA1MAPTRAB9ANPSR1PDE5A
SCHEMBL7417316 0.82 ALDH1A1 (0.51) MAPTNPSR1ALDH1A1KDM4EPKM
SCHEMBL7954388 0.82 LMNA (0.40) MAPTRAB9APDE5AHTTALDH1A1
SCHEMBL7426296 0.82 MAPT (0.49) MAPTRAB9ANPSR1PDE5AALDH1A1
SCHEMBL7419832 0.81 WDR5 (0.43) MAPTNPSR1HTTALDH1A1KMT2A
SCHEMBL7963323 0.79 DHODH (0.37) KCNMA1MAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL7594361 0.78 DHODH (0.36) KCNMA1MAPTRAB9AHTTALDH1A1
SCHEMBL7423430 0.76 PIK3CA (0.36) MAPTPDE5AHTTALDH1A1KDM4E
SCHEMBL7967008 0.74 PIK3CA (0.36) MAPTRAB9AALDH1A1KDM4E
SCHEMBL7594101 0.72 BRD4 (0.40) MAPTRAB9AKMT2ANPC1MEN1

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