SCHEMBL9575298

SCHEMBL9575298

CN(C)c1nc(NCCCCC2CC(C)(C)NC(C)(C)C2)nc(NCCCCC2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DNM2 P50570 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL9575403 0.99 DNM2 (0.33) TSHRCA1CA2CA9DNM2
SCHEMBL9575499 0.91 TSHR (0.36) TSHRCA1CA2CA9ALDH1A1
SCHEMBL11168811 0.90 TSHR (0.36) TSHR
SCHEMBL9367808 0.89 TSHR (0.36) TSHRDNM2
SCHEMBL9575159 0.87 CA1 (0.34) TSHRCA1CA2CA9
SCHEMBL10405427 0.86 TSHR (0.31) TSHR
SCHEMBL11429671 0.86 TSHR (0.33) TSHR
SCHEMBL294894 0.86 SLC29A1 (0.32) TSHR
SCHEMBL9575468 0.86 CA1 (0.33) TSHRCA1CA2CA9
SCHEMBL9575518 0.86 TSHR (0.31) TSHR

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-0227640-B1 POLYOLEFINS STABILISED BY BIS-(POLYALKYLPIPERIDINYL-AMINO)-1,3,5-TRIAZINES CIBA-GEIGY AG (CH) 1993-05-26 EP claimed
EP-0227640-B1 POLYOLEFINS STABILISED BY BIS-(POLYALKYLPIPERIDINYL-AMINO)-1,3,5-TRIAZINES CIBA-GEIGY AG (CH) 1993-05-26 EP disclosed