SCHEMBL9760955

SCHEMBL9760955

CN(CCN(C)c1ccc([N+](=O)[O-])cc1)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.64
POLB P06746 4/20 0.53
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 0.50
MMP14 P50281 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CYP19A1 P11511 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
SCHEMBL18660127 0.89 MAPT (0.77) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL1728626 0.84 MAPT (0.70) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL177662 0.84 MAPT (0.53) MAPTPOLBCRHBPCRHR2NPC1
SCHEMBL9760110 0.84 KCNH2 (0.56) MAPTPOLBALDH1A1
SCHEMBL2393251 0.84 CRHBP (0.68) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL16706324 0.81 MAPT (0.81) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL6372266 0.80 MAPT (0.64) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL27877152 0.80 POLB (0.53) MAPTPOLBCRHBPCRHR2NPC1
SCHEMBL1729465 0.79 MAPT (0.68) MAPTPOLBCRHBPCRHR2MMP14
SCHEMBL27927482 0.79 MAPT (0.68) MAPTPOLBCRHBPCRHR2MMP14

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-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed