SCHEMBL8817087

SCHEMBL8817087

COCN(COC)c1nc(Cl)nc(N(COC)COC)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 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
SCHEMBL123963 0.88 ALDH1A1 (0.38) ALDH1A1TSHR
Formaldehyde SCHEMBL3821786 0.81 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL469075 0.80 TSHR (0.32) ALDH1A1TSHR
SCHEMBL16638206 0.79 TDP1 (0.43) ALDH1A1ALOX15TSHR
SCHEMBL13202805 0.79 TDP1 (0.43) ALDH1A1ALOX15TSHR
SCHEMBL16844937 0.79 TDP1 (0.48) ALDH1A1KMT2AALOX15TSHR
SCHEMBL469071 0.79 CRHR1 (0.41) ALDH1A1PIK3CATSHR
SCHEMBL9975766 0.79 TDP1 (0.48) ALDH1A1KMT2AALOX15TSHR
SCHEMBL6961020 0.78 SLC29A1 (0.46) ALDH1A1KMT2AALOX15TSHR
SCHEMBL7906742 0.78 ALDH1A1 (0.32) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9040655-A — — None — — JP disclosed
US-5668226-A 2,4-diamino-s-triazinyl group-containing polymer and negative radiation-sensitive resist composition containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-16 — — US disclosed
US-5618892-A 2,4-diamino-s-triazinyl group-containing polymer and negative radiation-sensitive resist composition containing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-08 — — US disclosed
JP-H0940655-A 2,4-SUBSTITUTED AMINO-6-HALOGENO-1,3,5-TRIAZINE AND ITS PRODUCTION SHIN ETSU CHEM CO LTD 1997-02-10 — — JP disclosed
Send feedback