SCHEMBL6599574

SCHEMBL6599574

Cc1cc(Cl)c2ccc(C)c([N+](=O)[O-])c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 4/20 0.41
LMNA P02545 3/20 0.40
CRHR1 P34998 1/20 0.40
GAA P10253 1/20 0.40
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
TNF P01375 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL7699235 0.88 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL20838472 0.83 MAPT (0.55) ALDH1A1MAPTL3MBTL1TSHRLMNA
SCHEMBL6594784 0.82 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL6537694 0.77 KMT2A (0.55) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL1562891 0.76 ALDH1A1 (0.55) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL461099 0.76 MAPT (0.69) ALDH1A1MAPTL3MBTL1TSHRLMNA
SCHEMBL9069976 0.76 ALDH1A1 (0.57) ALDH1A1MAPTL3MBTL1TSHRTDP1
SCHEMBL10005935 0.74 MAPT (0.72) MAPTL3MBTL1TSHRLMNACRHR1
SCHEMBL1625586 0.72 ALDH1A1 (0.50) ALDH1A1MAPTTSHRTDP1LMNA
SCHEMBL563664 0.72 ALDH1A1 (0.50) ALDH1A1MAPTTSHRTDP1LMNA

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