SCHEMBL6595669

SCHEMBL6595669

CC(C)(C)[Si](C)(C)OCCc1cc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
MAOB P27338 1/20 0.39
NOS1 P29475 1/20 0.39
KCNJ1 P48048 2/20 0.38
LMNA P02545 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
NPBWR1 P48145 2/20 0.37
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.36
NPY1R P25929 1/20 0.36

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
SCHEMBL5171836 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL3962933 0.81 CYP19A1 (0.48) CYP19A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14745993 0.80 IDO1 (0.39) CYP19A1NOS1
SCHEMBL75303 0.77 LOXL2 (0.45) ALDH1A1KDM4EHRH4
SCHEMBL7807147 0.77 KDM4E (0.55) CYP19A1ALDH1A1KDM4EMAPTPOLB
SCHEMBL28761405 0.77 CYP19A1 (0.46) CYP19A1ALDH1A1KDM4EMAPTPOLB
SCHEMBL8629980 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1KDM4EMAPT
SCHEMBL9486575 0.75 CYP19A1 (0.49) CYP19A1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2367117 0.74 TSHR (0.47) CYP19A1ALDH1A1MAPTPOLBKCNJ1
SCHEMBL6597520 0.74 CYP19A1 (0.51) CYP19A1ALDH1A1KDM4EMAPTPOLB

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