SCHEMBL6594378

SCHEMBL6594378

Cc1cc2ccc([N+](=O)[O-])cc2c(N(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
HTT P42858 4/20 0.43
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE2A O00408 1/20 0.40
PDE5A O76074 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
PDE4A P27815 1/20 0.40
BLM P54132 1/20 0.40
PDE1B Q01064 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE7A Q13946 1/20 0.40

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
SCHEMBL6594656 0.79 ALDH1A1 (0.41) MAPTHTTALDH1A1TDP1TSHR
SCHEMBL28001003 0.78 ALDH1A1 (0.50) MAPTHTTALDH1A1TDP1TSHR
SCHEMBL6593674 0.74 KMT2A (0.52) MAPTHTTALDH1A1TDP1CYP3A4
SCHEMBL2986361 0.74 ACHE (0.47) ALDH1A1TDP1TSHRCYP3A4KMT2A
SCHEMBL6593224 0.72 KDM4E (0.42) MAPTHTTALDH1A1TDP1TSHR
SCHEMBL6596025 0.72 MAPT (0.35) MAPTHTTALDH1A1TSHRSMN1; SMN2
SCHEMBL14938710 0.70 CTSB (0.49) MAPTHTTALDH1A1TDP1TSHR
SCHEMBL6848360 0.70 KMT2A (0.55) MAPTHTTALDH1A1TDP1TSHR
SCHEMBL2993744 0.70 IRAK4 (0.53) MAPTHTTALDH1A1TSHRCYP3A4
SCHEMBL16215476 0.70 MAPT (0.57) MAPTALDH1A1CYP3A4LMNAALOX15

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed