SCHEMBL5418484

SCHEMBL5418484

CCOCCn1ncc(N)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL3941204 0.89 MGMT (0.33) TSHR
SCHEMBL5423866 0.83 SMN1; SMN2 (0.32) LMNANPC1SMN1; SMN2KDM4E
SCHEMBL5416465 0.82 MERTK (0.34)
SCHEMBL33797 0.81 ALDH1A1 (0.37) HCAR3LMNAKDM4ETSHR
SCHEMBL5412048 0.81 MEN1 (0.36) TSHR
SCHEMBL5413545 0.80 CYP3A4 (0.33) HCAR3LMNAKDM4E
SCHEMBL5422957 0.80 KDM2B (0.33) KDM4E
Hydrochloric Acid SCHEMBL5414502 0.80 ALDH1A1 (0.36) HCAR3LMNAKDM4ETSHR
Hydrochloric Acid SCHEMBL6282164 0.80 ALDH1A1 (0.36) HCAR3LMNAKDM4ETSHR
SCHEMBL2077800 0.79 PKM (0.50) KDM4E

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