SCHEMBL8565666

SCHEMBL8565666

Nc1ccc(N2CCN(c3ccncc3)C(I)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 5/20 0.40
GFER P55789 4/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
ADRA2C P18825 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
CHKA P35790 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL10766576 0.80 GAA (0.46) MAPTALDH1A1LMNAGFERGAA
SCHEMBL3439981 0.79 CHKA (0.61) MAPTALDH1A1LMNAGFERGAA
SCHEMBL8564297 0.74 SLC2A1 (0.42) MAPTALDH1A1GAAMAPK1USP2
SCHEMBL7956152 0.68 ACACB (0.52)
SCHEMBL27930045 0.67 MAPT (0.53) MAPTGFERGAAKDM4EHTT
Hydrochloric Acid SCHEMBL8634754 0.67 GSK3B (0.45) MAPTALDH1A1LMNAGFERGAA
SCHEMBL23347931 0.67 MAPT (0.77) MAPTALDH1A1LMNAGFERGAA
SCHEMBL6151120 0.67 MAPT (0.77) MAPTALDH1A1LMNAGFERGAA
SCHEMBL28112415 0.67 CHKA (0.80) MAPTLMNAGAAKDM4EHTT
SCHEMBL7043679 0.67 MAPT (0.77) MAPTALDH1A1LMNAGFERGAA

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-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed