SCHEMBL5403246

SCHEMBL5403246

CCCn1ncc(N)c1NCC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL14357558 0.88 POLB (0.34) POLB
SCHEMBL5405019 0.85 XDH (0.36) SMN1; SMN2KDM4ELMNA
Bromide SCHEMBL6789790 0.84 XDH (0.35)
SCHEMBL14445295 0.83 CNR1 (0.33) CNR1CNR2
SCHEMBL14445353 0.83 ALDH1A1 (0.36) KDM4ELMNACYP1A2CYP2C19CNR1
SCHEMBL5438004 0.83
SCHEMBL5414285 0.82
SCHEMBL5405663 0.81 MERTK (0.34)
SCHEMBL5407351 0.81 POLB (0.33) POLB
SCHEMBL14445362 0.81 ALDH1A1 (0.33) KDM4ELMNACYP1A2

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-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed
US-7300469-B2 Diaminopyrazole compounds and the use thereof in the oxidation dyeing of keratinous fibres L'OREAL, SA (FR) 2007-11-27 US disclosed