SCHEMBL4638282

SCHEMBL4638282

CN1CCN(c2ccc(N)cc2)CC1.CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.84
LMNA P02545 1/20 0.75
MAPT P10636 6/20 0.69
ALDH1A1 P00352 5/20 0.69
KMT2A Q03164 2/20 0.69
GAA P10253 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ADRA2C P18825 1/20 0.69
GFER P55789 1/20 0.69
PTK2B Q14289 1/20 0.69
ESR2 Q92731 1/20 0.69
POLB P06746 1/20 0.59
ADRB1 P08588 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.52
HRH4 Q9H3N8 1/20 0.52

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
SCHEMBL447471 0.92 SIRT6 (1.00) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL4221243 0.87 KMT2A (0.67) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL3569406 0.86 LMNA (1.00) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL7155984 0.84 POLB (0.84) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL56547 0.83 MAPT (1.00) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL6414948 0.83 MAPT (1.00) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL15271381 0.83 SIRT6 (0.81) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL6151230 0.83 SIRT6 (0.81) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL6151538 0.83 MAPT (1.00) SIRT6LMNAMAPTALDH1A1KMT2A
SCHEMBL11171262 0.82 SIRT6 (0.81) SIRT6LMNAMAPTALDH1A1KMT2A

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-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed