SCHEMBL9675487

SCHEMBL9675487

CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 3/20 0.55
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 3/20 0.49
SIGMAR1 Q99720 1/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPBWR1 P48145 1/20 0.41
PYCR1 P32322 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL5936119 0.83 MAPT (0.46) MEN1KMT2ATDP1ALDH1A1
SCHEMBL9737428 0.81 KCNH2 (0.59) MEN1KMT2AKCNH2ACHE
SCHEMBL3143117 0.78 KCNH2 (0.64) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL9678220 0.78 CDC25C (0.49) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL6231422 0.78 TTR (0.43) KMT2ACRHBPCRHR2ALDH1A1ACHE
SCHEMBL6231424 0.78 TTR (0.43) KMT2ACRHBPCRHR2ALDH1A1ACHE
SCHEMBL9628028 0.77 KCNH2 (0.74) CDC25CMEN1THRBAPEX1RECQL
SCHEMBL14127817 0.76 KDM4E (0.55) KMT2ATDP1ALDH1A1NPBWR1
SCHEMBL9678053 0.76 LMNA (0.44) MEN1KMT2AKCNH2SIGMAR1ALDH1A1
SCHEMBL9675455 0.75 CDC25C (0.52) CDC25CMEN1THRBAPEX1RECQL

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-5158964-A Benzoxazole sulfonamide anti-arrhythmic agents PFIZER INC. (US) 1992-10-27 US disclosed
US-5055473-A QUINOLINYL SULFONAMIDE ANTI-ARRHYTHMIC AGENTS AND USE THEREAS PFIZER INC. (US) 1991-10-08 US disclosed
US-4956382-A TERTIARY AMINE HETEROCYCLIC SULFONAMIDES PFIZER INC. (US) 1990-09-11 US disclosed
EP-0281254-B1 ANTIARRYTHMIC AGENTS Pfizer Limited (GB) 1990-01-17 EP disclosed
EP-0281254-A1 Antiarrythmic agents Pfizer Limited (GB) 1988-09-07 EP disclosed