SCHEMBL7478174

SCHEMBL7478174

CCN(C(C)=O)c1cccc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.42
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 4/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7475621 0.88 TP53 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7486165 0.83 KMT2A (0.47) TSPOALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29091576 0.81 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL30615131 0.81 KMT2A (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7479176 0.80 TSHR (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL8421994 0.79 ALDH1A1 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6551228 0.77 TSHR (0.56) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL16957915 0.76 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL7978956 0.73 CYP19A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL206164 0.73 TSHR (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD

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