SCHEMBL939

SCHEMBL939

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 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
SCHEMBL9383028 0.87 SMN1; SMN2 (0.35) SMN1; SMN2PKMMEN1KMT2A
SCHEMBL1002 0.80 SMN1; SMN2 (0.40) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL27309366 0.77 SMN1; SMN2 (0.44) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL1343 0.77 SMN1; SMN2 (0.36) SMN1; SMN2PKMNPC1RAB9AMAPT
SCHEMBL8951990 0.73 PKM (0.44) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL1730 0.72 PKM (0.61) PKMKDM4EMAPTMEN1KMT2A
SCHEMBL19224194 0.70 PKM (0.42) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL964962 0.70 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL28376978 0.69 PKM (0.41) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL2183233 0.67 L3MBTL1 (0.42) MAPTMEN1KMT2AALDH1A1LMNA

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 8 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
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN 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
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN disclosed