SCHEMBL46399

SCHEMBL46399

Cc1ncnc(N2CCNCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
HRH1 P35367 1/20 0.47
USP2 O75604 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRB1 P08588 2/20 0.45
CYP1A2 P05177 5/20 0.44
CASP1 P29466 4/20 0.44
HPGD P15428 3/20 0.44
CASP7 P55210 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
TSHR P16473 1/20 0.44
HTR2C P28335 1/20 0.42
KHK P50053 1/20 0.40
CHRNB2 P17787 1/20 0.39

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
Hydrochloric Acid SCHEMBL8560207 0.98 ALDH1A1 (0.52) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL28710773 0.86 HRH1 (0.61) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL6027662 0.78 HRH1 (0.61) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL13076946 0.78 HRH3 (0.53) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL8108716 0.78 PIK3CA (0.49) ALDH1A1KDM4EUSP2SMN1; SMN2CYP1A2
SCHEMBL3922544 0.77 KDM4E (0.44) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL4422278 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL6025566 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL434846 0.76 POLB (0.55) ALDH1A1KDM4EHRH1USP2SMN1; SMN2
SCHEMBL10028669 0.76 HRH1 (0.65) ALDH1A1KDM4EHRH1USP2SMN1; 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
WO-2011146604-A2 OPTICAL BRIGHTENERS AND COMPOSITIONS COMPRISING THE SAME MILLIKEN & COMPANY (US) 2011-11-24 WO disclosed