SCHEMBL6202152

SCHEMBL6202152

CN(C(=N)N)c1cc[c]cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
PLAU P00749 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HBB P68871 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 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
SCHEMBL5404611 0.78 PLAU (0.33) PLAUKMT2A
SCHEMBL1743264 0.77 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9059288 0.76 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9059291 0.76 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28137221 0.74 CHRM5 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6861323 0.71 KMT2A (0.36) KMT2APKM
SCHEMBL486173 0.71 SMN1; SMN2 (0.47) KMT2AALOX15MAPK1
SCHEMBL2483553 0.70 POLB (0.32) KMT2A
SCHEMBL10837208 0.69 PRSS1 (0.33) PLAUPRSS1PRSS2C1SPRSS3
SCHEMBL4094793 0.69 NPC1 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed