SCHEMBL6068684

SCHEMBL6068684

CN(C)c1c(N)cnn1CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 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
SCHEMBL6068728 0.86 GAA (0.41) LMNAKDM4ESMN1; SMN2NPC1MITF
SCHEMBL6068838 0.83 MEN1 (0.34) LMNAKDM4EMAPK1TSHRSMN1; SMN2
SCHEMBL6068949 0.83 LMNA (0.34) LMNAKDM4EMAPK1TSHRSMN1; SMN2
SCHEMBL6068784 0.81 PTGIR (0.38)
SCHEMBL6068801 0.80 PTGIR (0.40)
SCHEMBL6068655 0.79 ABL1 (0.31) LMNAKDM4EMAPK1TSHRABL1
SCHEMBL6068547 0.79 LMNA (0.31) LMNAKDM4EMAPK1TSHR
SCHEMBL1803436 0.78 TSHR (0.38) LMNAKDM4EMAPK1TSHRSMN1; SMN2
SCHEMBL6068957 0.76
SCHEMBL5424153 0.75 LMNA (0.35) LMNAKDM4EMAPK1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed