SCHEMBL10327153

SCHEMBL10327153

CNc1nc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c(N)c(SC)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 3/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ IDH2 P48735 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CHIT1 Q13231 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42

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
SCHEMBL10327506 0.90 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL10327463 0.87 LMNA (0.46) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL966531 0.86 MAPT (0.46) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL3459687 0.81 IDH2 (0.51) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL966073 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL966533 0.80 MAPT (0.42) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL964028 0.79 LMNA (0.44) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL968748 0.79 KMT2A (0.57) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL967168 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL967167 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1MAPTKMT2A

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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