SCHEMBL1002

SCHEMBL1002

Cn1nc(CBr)c([N+](=O)[O-])c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 3/20 0.39
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.31
MITF O75030 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
ALDH1A1 P00352 3/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27309366 0.87 SMN1; SMN2 (0.44) SMN1; SMN2PKMKDM4EMAPTLMNA
SCHEMBL939 0.80 SMN1; SMN2 (0.38) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL8951990 0.76 PKM (0.44) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL1730 0.74 PKM (0.61) PKMKDM4EMAPTLMNAALDH1A1
SCHEMBL9383028 0.74 SMN1; SMN2 (0.35) SMN1; SMN2PKM
SCHEMBL19224194 0.73 PKM (0.42) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL28376978 0.71 PKM (0.41) SMN1; SMN2PKMKDM4ENPC1RAB9A
SCHEMBL26664506 0.69 PKM (0.42) SMN1; SMN2PKMKDM4EMAPTLMNA
SCHEMBL15942014 0.67 PKM (0.40) SMN1; SMN2PKMKDM4EMAPTLMNA
SCHEMBL15469751 0.67 PKM (0.43) SMN1; SMN2PKMNPC1RAB9AMAPT

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 9 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
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP 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
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed