SCHEMBL13822696

SCHEMBL13822696

CNc1nccc(N2CCCC(OC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
MAPT P10636 3/20 0.35
CTSB P07858 1/20 0.35
ACACB O00763 13/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL13822692 1.00 CCNT1 (0.35) CCNT1CDK9MAPTCTSBACACB
SCHEMBL13719661 0.87 SMN1; SMN2 (0.35) MAPTCTSBACACBMITFHTT
SCHEMBL12517475 0.84 MAP4K4 (0.47)
SCHEMBL13720109 0.81 ACACB (0.36) MAPTACACB
SCHEMBL12518915 0.81 MAP4K4 (0.45) ALDH1A1
SCHEMBL13719714 0.81 SMN1; SMN2 (0.38) CCNT1CDK9MAPTMITFHTT
SCHEMBL12518775 0.80 MAPT (0.50) CCNT1CDK9MAPTSMN1; SMN2GPR119
SCHEMBL12518773 0.80 PIM1 (0.45)
SCHEMBL12517591 0.80 MAPT (0.54) CCNT1CDK9MAPTSMN1; SMN2GPR119
SCHEMBL13719960 0.78 SMN1; SMN2 (0.36) MAPTCTSBACACBMITFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524917-A1 FUSED PYRIDINE DERIVATIVES Xuanzhu Pharmaco., Ltd. (CN) 2012-11-21 EP disclosed