Sugi Predict

Sugi Predict / Compounds / Picolamine

Picolamine

Picolamine

SCHEMBL4090774

NCc1cccnc1.O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(O)(CN2CCCC2)CC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.44
▸ CA2 P00918 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3301370 0.90 MAPT (0.48) NAMPTMAPTALDH1A1LMNAGAA
SCHEMBL3301281 0.89 MEN1 (0.47) NAMPTMAPTALDH1A1LMNARXFP1
SCHEMBL3296270 0.85 MAPT (0.47) NAMPTCA2MAPTALDH1A1LMNA
SCHEMBL3306730 0.84 MAPT (0.47) CA2MAPTALDH1A1LMNARXFP1
SCHEMBL3302587 0.81 MAPT (0.46) NAMPTCA2MAPTALDH1A1LMNA
SCHEMBL3304673 0.81 MAPT (0.47) NAMPTMAPTALDH1A1LMNAGAA
SCHEMBL3301325 0.81 MAPT (0.45) NAMPTCA2MAPTALDH1A1LMNA
SCHEMBL3582698 0.81 IKBKB (0.55) —
SCHEMBL3295573 0.80 IKBKB (0.44) CA2MAPTALDH1A1RXFP1
SCHEMBL3300127 0.80 MAPT (0.44) CA2MAPTLMNARXFP1

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
WO-2009056693-A1 NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2009-05-07 — — WO disclosed