SCHEMBL5820280

SCHEMBL5820280

COCCc1cc([N+](=O)[O-])c(C)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
PTGES O14684 1/20 0.33
PTGER4 P35408 1/20 0.33
RAB9A P51151 1/20 0.33
VCAM1 P19320 1/20 0.33
HCAR3 P49019 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
G6PD P11413 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL3249978 0.78 LMNA (0.40) ALDH1A1LMNATSHRGAAKDM4E
SCHEMBL29760183 0.74 TSHR (0.48) MAPTALDH1A1LMNATSHRCYP3A4
SCHEMBL7006546 0.74 TSHR (0.48) MAPTALDH1A1LMNATSHRCYP3A4
SCHEMBL31597058 0.73 ALDH1A1 (0.47) MAPTALDH1A1LMNATSHRCYP3A4
SCHEMBL25337052 0.73 ALDH1A1 (0.47) MAPTALDH1A1LMNATSHRCYP3A4
SCHEMBL8564571 0.72 MAPT (0.43) MAPTALDH1A1LMNAPTGESRAB9A
SCHEMBL28046347 0.72 HTT (0.42) MAPTALDH1A1LMNARAB9AKMT2A
SCHEMBL18585904 0.71 TSHR (0.55) MAPTALDH1A1LMNATSHRCYP3A4
SCHEMBL19204031 0.70 ALDH1A1 (0.41) MAPTALDH1A1LMNATSHRCYP3A4
Ammonia Solution, Strong SCHEMBL25335787 0.70 ALDH1A1 (0.44) MAPTALDH1A1LMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed