SCHEMBL7368622

SCHEMBL7368622

CC(=O)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ATM Q13315 2/20 0.48
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL7375065 0.84 CRHBP (0.52) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL7371730 0.83 CRHBP (0.51) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL10373835 0.83 ATM (0.54) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL7376544 0.82 ALDH1A1 (0.49) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL30981379 0.82 CRHBP (0.50) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL7375141 0.82 CRHBP (0.50) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL7376325 0.80 HTT (0.41) NPC1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL8812280 0.80 ALDH1A1 (0.53) MAPK1CRHBPCRHR2ATMNPC1
SCHEMBL7375164 0.78 CRHBP (0.47) MAPK1CRHBPCRHR2ATMKMT2A
SCHEMBL20537201 0.78 ALDH1A1 (0.47) MAPK1CRHBPCRHR2ATMNPC1

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 3 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
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed