SCHEMBL27309366

SCHEMBL27309366

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL1002 0.87 SMN1; SMN2 (0.40) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL939 0.77 SMN1; SMN2 (0.38) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL8951990 0.73 PKM (0.44) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL1730 0.72 PKM (0.61) PKMKDM4EMAPTALDH1A1LMNA
SCHEMBL9383028 0.72 SMN1; SMN2 (0.35) SMN1; SMN2PKM
SCHEMBL19224194 0.70 PKM (0.42) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL28376978 0.69 PKM (0.41) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL26664506 0.67 PKM (0.42) SMN1; SMN2PKMKDM4EMAPTALDH1A1
SCHEMBL27312546 0.67 SMN1; SMN2 (0.61) SMN1; SMN2PKMMAPTALDH1A1LMNA
SCHEMBL14376855 0.66 SMN1; SMN2 (0.46) SMN1; SMN2PKMMAPTALDH1A1LMNA

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
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN disclosed
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN disclosed
CN-1045783-A Diaza  class anti-allergy medicament PFIZER (US) 1990-10-03 CN disclosed