SCHEMBL17593175

SCHEMBL17593175

COc1ccccc1-c1cc(C(=O)Nc2ccc(S(=O)(=O)N(COCC[Si](C)(C)C)c3ncccn3)cc2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL17592907 0.88 PHGDH (0.43) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17593034 0.85 PHGDH (0.42) LMNAMAPT
SCHEMBL17593251 0.81 L3MBTL1 (0.40) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17593077 0.81 NPC1 (0.37) HPGDNPC1RAB9ARXFP1SMN1; SMN2
SCHEMBL17592983 0.80 NPC1 (0.35) HPGDNPC1RAB9ARXFP1SMN1; SMN2
SCHEMBL17593119 0.79 GRM4 (0.48) HPGDNPC1RAB9ARXFP1SMN1; SMN2
SCHEMBL17592994 0.79 KDM4E (0.40) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17592998 0.79 PHGDH (0.40) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17593076 0.78 NPC1 (0.44) HPGDNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17592888 0.77 NPC1 (0.39) HPGDNPC1RAB9ARXFP1SMN1; SMN2

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
WO-2016040449-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2016-03-17 — — WO disclosed
Send feedback