SCHEMBL5201388

SCHEMBL5201388

CC(C)c1n[nH]c(N)c1N=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
PTK2B Q14289 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.32
GFER P55789 2/20 0.30
CCNT1 O60563 1/20 0.30
CCNE2 O96020 1/20 0.30
MAPT P10636 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5200898 0.74
SCHEMBL12464663 0.72
SCHEMBL144679 0.72 GAA (0.41) GAAPTK2BSMN1; SMN2
SCHEMBL5252528 0.70 GAA (0.40) GAAPTK2BSMN1; SMN2
Hydrochloric Acid SCHEMBL9358556 0.70 GAA (0.40) GAAPTK2BSMN1; SMN2
SCHEMBL6386489 0.68 GAA (0.36) GAANPC1GFERCCNT1CCNE2
Sulfuric Acid SCHEMBL5202893 0.67 GAA (0.35) GAAPTK2BSMN1; SMN2
SCHEMBL13081774 0.64 GAA (0.36) GAAPTK2BSMN1; SMN2
SCHEMBL5199655 0.63 CCNT1 (0.33) CCNT1CCNE2CCNE1CDK2CDK9
SCHEMBL21542668 0.61 GAA (0.33) GAAPTK2BSMN1; SMN2

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-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed