SCHEMBL7375901

SCHEMBL7375901

CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TP53 P04637 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ATM Q13315 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.46
OPRK1 P41145 1/20 0.46
STAT1 P42224 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.45
CACNA1B Q00975 1/20 0.45

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
SCHEMBL7747451 0.85 TP53 (0.61) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL6316045 0.82 TSHR (0.58) KMT2ATP53SMN1; SMN2MAPTNPC1
SCHEMBL3939111 0.80 TSHR (0.46) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL7367970 0.80 TSHR (0.46) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL18765295 0.79 KDM4E (0.63) MEN1KMT2ATP53SMN1; SMN2NPC1
SCHEMBL7379932 0.78 ATM (0.75) MEN1KMT2AL3MBTL1SMN1; SMN2CRHBP
SCHEMBL7808323 0.77 TSHR (0.46) KMT2ATP53SMN1; SMN2MAPTNPC1
SCHEMBL5204546 0.77 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL7375065 0.75 CRHBP (0.52) MEN1KMT2AL3MBTL1SMN1; SMN2CRHBP
SCHEMBL17934575 0.75 TSHR (0.56) MEN1KMT2AL3MBTL1TP53SMN1; SMN2

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed