SCHEMBL1487362

SCHEMBL1487362

CNS(=O)(=O)NCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
PRMT3 O60678 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT1 Q99873 1/20 0.46
PRMT8 Q9NR22 1/20 0.46
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
CA1 P00915 4/20 0.39
CA12 O43570 4/20 0.36
CA2 P00918 4/20 0.36
CA14 Q9ULX7 2/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL48345 0.75 ALDH1A1 (0.62) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL20034632 0.75 ALDH1A1 (0.34) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL25098658 0.74 CA2 (0.40) ALDH1A1CA1CA12CA2CA14
SCHEMBL3217919 0.74 ALDH1A1 (0.50) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL3151454 0.73 ALDH1A1 (0.60) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL8981500 0.73 ALDH1A1 (0.60) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL16438219 0.73 ALDH1A1 (0.60) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL8018138 0.73 ALDH1A1 (0.60) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL11033708 0.73 ALDH1A1 (1.00) ALDH1A1PRMT3CARM1PRMT6PRMT1
SCHEMBL27183099 0.71 ALDH1A1 (0.58) ALDH1A1PRMT3CARM1PRMT6PRMT1

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
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed