SCHEMBL6877301

SCHEMBL6877301

Cn1ccnc1/C(N)=N/O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.39
NAMPT P43490 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
FDPS P14324 2/20 0.32
BRAF P15056 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NTRK1 P04629 2/20 0.31
PIM1 P11309 2/20 0.31

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
SCHEMBL6877305 1.00 LPO (0.39) LPONAMPTLMNAALDH1A1KMT2A
SCHEMBL284637 0.75
SCHEMBL21765322 0.75
Lithium SCHEMBL31348018 0.73 NAMPT (0.44) LPONAMPTLMNAALDH1A1KMT2A
Iodide SCHEMBL5464242 0.73 NAMPT (0.44) LPONAMPTLMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL4018433 0.73 LPO (0.40) LPONAMPTLMNAALDH1A1KMT2A
SCHEMBL8492338 0.72
SCHEMBL5604635 0.70 TSHR (0.49) LPONAMPTLMNAALDH1A1KMT2A
SCHEMBL1045753 0.69 ALDH1A1 (0.46) NAMPTLMNAALDH1A1KMT2AMAPT
SCHEMBL1045752 0.69 ALDH1A1 (0.46) NAMPTLMNAALDH1A1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed