SCHEMBL14424176

SCHEMBL14424176

CC(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2cc(F)c(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 3/20 0.39
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIA2 P42262 1/20 0.35
GSK3B P49841 1/20 0.35
JAK1 P23458 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPY5R Q15761 1/20 0.33
ABL1 P00519 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
SCHEMBL10114758 1.00 SHMT2 (0.39) SHMT2BRAFKDRSMN1; SMN2MAPT
SCHEMBL10114772 0.94 SHMT2 (0.36) SHMT2BRAFKDRSMN1; SMN2MAPT
SCHEMBL13204288 0.94 SHMT2 (0.36) SHMT2BRAFKDRSMN1; SMN2MAPT
SCHEMBL12882326 0.89 MEN1 (0.38) SMN1; SMN2MAPTMEN1KMT2AGRIA2
SCHEMBL10114738 0.89 MEN1 (0.38) SMN1; SMN2MAPTMEN1KMT2AGRIA2
SCHEMBL10114384 0.88 MAPT (0.48) BRAFKDRMAPTMEN1KMT2A
SCHEMBL10133387 0.88 MAPT (0.48) BRAFKDRMAPTMEN1KMT2A
SCHEMBL10115607 0.85 USP2 (0.38) KMT2ANPC1TSHR
SCHEMBL10134102 0.84 TSHR (0.37) MAPTGRIA2GSK3BJAK1POLB
SCHEMBL10114730 0.84 TSHR (0.37) MAPTGRIA2GSK3BJAK1POLB

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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed