SCHEMBL6877309

SCHEMBL6877309

Cn1ccnc1C(=N)NO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
LPO P22079 1/20 0.39
FDPS P14324 2/20 0.35
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC4 P56524 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
GRM1 Q13255 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL14472618 0.77
SCHEMBL21765322 0.75
Hydrochloric Acid SCHEMBL4018433 0.73 LPO (0.40) NAMPTLPOFDPSKMT2AALDH1A1
SCHEMBL8492338 0.72
SCHEMBL284636 0.71
SCHEMBL5604635 0.70 TSHR (0.49) NAMPTLPOFDPSKMT2AALDH1A1
Bromide SCHEMBL7373319 0.68 RAB9A (0.48) NAMPTLPOFDPSKMT2AALDH1A1
SCHEMBL114011 0.68
SCHEMBL12234495 0.68
SCHEMBL5662910 0.68

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