SCHEMBL8040116

SCHEMBL8040116

Nc1nc(NCCOCCCl)nc(N(CCOCCCl)CCOCCCl)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HTR7 P34969 2/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8907825 0.86 KCNH3 (0.43) ALDH1A1HTR7ADRA1DADRA1AADRA1B
SCHEMBL8369206 0.83 CA1 (0.36) HTR7ADRA1DADRA1AADRA1B
SCHEMBL7524925 0.75 KCNH3 (0.44) ALDH1A1
SCHEMBL10454781 0.73 CA1 (0.38) ALDH1A1HTR7SMN1; SMN2
SCHEMBL7597940 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL1077004 0.70 SLC29A1 (0.46) ALDH1A1ADRA1ASMN1; SMN2
SCHEMBL1274425 0.69 HRH3 (0.37) ALDH1A1HTR7SMN1; SMN2
SCHEMBL3795042 0.69 CA1 (0.37) HTR7ADRA1DADRA1AADRA1B
SCHEMBL2534130 0.68 NPY1R (0.36) ALDH1A1HTR7SMN1; SMN2
SCHEMBL2370354 0.68 SLC29A1 (0.49) ALDH1A1SMN1; 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-6120562-A AMINO-AND/OR ALKOXYTRIAZINES CONTAINING AT LEAST ONE C1 TO C10 ALKYL GROUP WHICH POSSESSES A VINYLSULFONYL GROUP ARE USED AS FIXATION AIDS WHEN USING ANIONIC DYES ON HYDROXYL OR NITROGEN CONTAINING ORGANIC SUBSTRATE BASF AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed