SCHEMBL1343

SCHEMBL1343

COCc1nn(C)c(C#N)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL939 0.77 SMN1; SMN2 (0.38) SMN1; SMN2PKMLMNAALDH1A1MAPT
SCHEMBL10871178 0.74 PKM (0.56) PKMLMNAALDH1A1MAPT
SCHEMBL798 0.73 KDM4E (0.36) SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9383028 0.66 SMN1; SMN2 (0.35) SMN1; SMN2PKM
SCHEMBL20552007 0.64 GAA (0.40) SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL2183233 0.64 L3MBTL1 (0.42) LMNAALDH1A1MAPT
SCHEMBL10918310 0.63 MAPT (0.42) SMN1; SMN2PKMLMNAALDH1A1MAPT
SCHEMBL1075833 0.62 PKM (0.61) SMN1; SMN2PKMLMNAALDH1A1MAPT
SCHEMBL1559564 0.60 MAPT (0.43) SMN1; SMN2PKMLMNAALDH1A1MAPT
SCHEMBL27591379 0.60 SMN1; SMN2 (0.41) SMN1; SMN2PKMLMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 EP disclosed