SCHEMBL6603576

SCHEMBL6603576

Cc1cc(N2CCC2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ACHE P22303 2/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PSMD14 O00487 1/20 0.48
APAF1 O14727 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
APP P05067 1/20 0.48
BCHE P06276 1/20 0.48
NPC1 O15118 1/20 0.48
APOBEC3A P31941 1/20 0.48
RAB9A P51151 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6605546 0.97 NCF1 (0.57) NCF1MAPTSMN1; SMN2ACHENPC1
SCHEMBL7474440 0.89 NCF1 (0.61) NCF1MAPTSMN1; SMN2NPSR1
SCHEMBL6201951 0.82 MCHR1 (0.47) MAPTSMN1; SMN2ACHEKDM4EAPP
SCHEMBL7471109 0.81 MAPT (0.59) NCF1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3646902 0.80 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL5530249 0.78 SMN1; SMN2 (0.68) NCF1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5024526 0.77 KMT2A (0.52) NCF1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6848360 0.77 KMT2A (0.55) MAPTSMN1; SMN2ACHEKMT2AMEN1
SCHEMBL15521695 0.77 APP (0.57) ACHEAPPBCHEGAA
SCHEMBL6507114 0.76 GAA (0.55) SMN1; SMN2ACHEKMT2AMEN1APP

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