SCHEMBL6605546

SCHEMBL6605546

Cc1cc(N2CCCC2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.57
ACHE P22303 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.51
APOBEC3A P31941 1/20 0.51
RAB9A P51151 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NPBWR1 P48145 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL6603576 0.97 NCF1 (0.53) NCF1ACHESMN1; SMN2MAPTGAA
SCHEMBL7474440 0.89 NCF1 (0.61) NCF1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7471109 0.81 MAPT (0.59) NCF1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5024526 0.80 KMT2A (0.52) NCF1SMN1; SMN2MAPTGAAALDH1A1
SCHEMBL3646902 0.80 MAPT (0.47) SMN1; SMN2MAPT
SCHEMBL6201951 0.79 MCHR1 (0.47) ACHESMN1; SMN2MAPTGAANPC1
SCHEMBL6507114 0.79 GAA (0.55) ACHESMN1; SMN2GAANPC1APOBEC3A
SCHEMBL5530249 0.78 SMN1; SMN2 (0.68) NCF1SMN1; SMN2MAPTGAALMNA
SCHEMBL6848360 0.77 KMT2A (0.55) ACHESMN1; SMN2MAPTALDH1A1
SCHEMBL15521695 0.77 APP (0.57) ACHEGAAALDH1A1LMNA

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