SCHEMBL5420180

SCHEMBL5420180

CC(CCn1ncc(N)c1N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
DYRK1A Q13627 1/20 0.33
KMO O15229 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5411219 0.91 TSHR (0.32) TSHR
SCHEMBL5425006 0.87 GABRR1 (0.40) KMOLMNA
SCHEMBL5416095 0.85 KMO (0.37) TSHRKMONPC1LMNASMN1; SMN2
SCHEMBL5427236 0.81 TSHR (0.32) TSHR
SCHEMBL5394284 0.81 CSNK2A1 (0.34) TSHR
SCHEMBL5403662 0.79 SMN1; SMN2 (0.34) TSHRSMN1; SMN2ALDH1A1
SCHEMBL5411195 0.78 BHMT (0.36) KMOSMN1; SMN2ALDH1A1
SCHEMBL14445258 0.78 TBXAS1 (0.40) KMOLMNA
SCHEMBL5403681 0.78 TSHR (0.30) TSHR
SCHEMBL5163069 0.78 HTR2A (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed