SCHEMBL8434384

SCHEMBL8434384

CCCCc1nc([N+](=O)[O-])c(Br)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KCNJ1 P48048 1/20 0.39
MAPK1 P28482 1/20 0.38
PARP1 P09874 1/20 0.37
PKM P14618 1/20 0.36
GPR84 Q9NQS5 5/20 0.36
GSK3B P49841 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
RIPK1 Q13546 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8436760 0.73 ALDH1A1 (0.46) ALDH1A1MAPK1PARP1PKMGPR84
SCHEMBL3676705 0.71 MAPT (0.38) ALDH1A1LMNAMAPT
SCHEMBL9123535 0.70 PARP1 (0.42) ALDH1A1MAPK1PARP1GPR84GSK3B
SCHEMBL18152663 0.69 GAA (0.43) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL58940 0.69 MAPT (0.38) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL7608611 0.68 KDM4E (0.85) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL7608604 0.68 KDM4E (0.67) KDM4EALDH1A1LMNAMAPTKCNJ1
SCHEMBL9122617 0.68 ALDH1A1 (0.41) ALDH1A1MAPK1PARP1PKMGPR84
SCHEMBL27431902 0.68 ALDH1A1 (0.41) ALDH1A1MAPK1PARP1PKMGPR84
SCHEMBL28455056 0.66 ATM (0.49) ALDH1A1MAPK1PKMGPR84

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929249-A ANGIOTENSIN II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-07-27 US disclosed
US-5728842-A ANGIOTENSIN II RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1998-03-17 US disclosed
EP-0653937-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1996-07-31 EP disclosed
EP-0653937-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-24 EP disclosed
WO-1994000120-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-01-06 WO disclosed