SCHEMBL14445258

SCHEMBL14445258

CC(CCCn1ncc(N)c1N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
LTA4H P09960 1/20 0.38
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
BLM P54132 1/20 0.38
KMO O15229 1/20 0.37
LMNA P02545 2/20 0.35
APAF1 O14727 1/20 0.35
POLB P06746 1/20 0.35
ARG1 P05089 1/20 0.35
LTB4R Q15722 1/20 0.33
CPB1 P15086 1/20 0.33
CPB2 Q96IY4 1/20 0.33

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
SCHEMBL5425006 0.91 GABRR1 (0.40) TBXAS1LTA4HGABRR1CYP1A2KMO
SCHEMBL5411219 0.88 TSHR (0.32)
SCHEMBL14445243 0.83 KMO (0.49) GABRR1CYP1A2KMOLMNAAPAF1
SCHEMBL5382972 0.81 ADORA2A (0.32)
SCHEMBL5420180 0.78 TSHR (0.33) KMOLMNA
SCHEMBL5420628 0.78 TP53 (0.30)
SCHEMBL5416816 0.78 KMO (0.48) KMO
SCHEMBL5427297 0.76 CHRNB2 (0.36)
SCHEMBL3944376 0.76 TSHR (0.32)
SCHEMBL5411195 0.76 BHMT (0.36) CYP1A2KMO

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
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