SCHEMBL5484368

SCHEMBL5484368

Nc1ncc([N+](=O)[O-])cc1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
POLB P06746 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL1817755 0.79 POLB (0.59) IDO1POLBHTTMAPTALDH1A1
SCHEMBL5492557 0.75 FEN1 (0.31)
SCHEMBL5105572 0.75 POLB (0.50) IDO1POLBHTTMAPTALDH1A1
SCHEMBL28046347 0.72 HTT (0.42) IDO1POLBHTTMAPTALDH1A1
SCHEMBL987475 0.71 IDO1 (0.53) IDO1HTTMAPTALDH1A1MAPK1
SCHEMBL5881717 0.70 CDK2 (0.40)
SCHEMBL986221 0.70 TDP1 (0.52) IDO1POLBHTTMAPTALDH1A1
SCHEMBL6644250 0.70 PRKCQ (0.46)
SCHEMBL30122384 0.70 TDP1 (0.52) IDO1POLBHTTMAPTALDH1A1
SCHEMBL6152687 0.69 POLB (0.54) POLBMAPTALDH1A1MEN1KMT2A

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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed