SCHEMBL9675455

SCHEMBL9675455

CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25C P30307 3/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNH2 Q12809 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DAGLA Q9Y4D2 1/20 0.44
ACHE P22303 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL9678220 0.91 CDC25C (0.49) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL9678236 0.79 CDC25C (0.51) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL9676534 0.77 GRK6 (0.67) MEN1KMT2ATDP1SIGMAR1RAB9A
SCHEMBL31312575 0.76 ALDH1A1 (0.60) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL9641204 0.76 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8139921 0.76 RAB9A (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3143117 0.76 KCNH2 (0.64) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL9675487 0.75 CDC25C (0.55) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL9628028 0.74 KCNH2 (0.74) CDC25CMEN1KMT2ATHRBAPEX1
SCHEMBL6635764 0.74 GRK6 (0.48) MEN1KMT2AKCNH2RAB9ANPC1

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