SCHEMBL4660440

SCHEMBL4660440

Cn1nccc1-c1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
THRB P10828 1/20 0.39
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
GRK5 P34947 1/20 0.38
LIMK1 P53667 1/20 0.38
CYP1A2 P05177 3/20 0.35
CASP6 P55212 2/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 1/20 0.35
CASP4 P49662 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
PLAT P00750 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4661803 0.81 KAT2B (0.39) MAPTALDH1A1CHEK1DAPK3GRK5
SCHEMBL1166073 0.80 MAPT (0.54) MAPTALDH1A1THRBCHEK1DAPK3
SCHEMBL4660601 0.76 HTR2A (0.39) MAPTALDH1A1CHEK1DAPK3GRK5
SCHEMBL17293038 0.75 MALT1 (0.42) MAPTALDH1A1TDP1KDM4ERAB9A
SCHEMBL1167021 0.72 HTR2A (0.51) MAPTALDH1A1CASP6CASP1CASP3
SCHEMBL4916926 0.72 HTR2A (0.38) MAPTALDH1A1GAAPLATHTT
SCHEMBL5578056 0.72 MAPT (0.46) MAPTALDH1A1NPC1HTT
SCHEMBL2403049 0.72 PTGDR2 (0.49) MAPTALDH1A1CYP1A2TDP1NPC1
SCHEMBL4791655 0.71 HTR2A (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL7889590 0.71 TLR2 (0.39) MAPTALDH1A1CYP1A2CASP6CASP1

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
EP-2004627-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed
WO-2007120600-A2 3-PYRIDINYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed