SCHEMBL17592953

SCHEMBL17592953

Cn1nc(-c2ccccc2)cc1C(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 14/20 0.59
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL17593243 0.83 KDM4E (0.62) PHGDHALDH1A1KDM4EMAPT
SCHEMBL17593069 0.79 TDP1 (0.58) PHGDHALDH1A1KDM4ELMNAMAPT
SCHEMBL17592954 0.78 PHGDH (0.50) PHGDHALDH1A1KDM4ELMNAMAPT
SCHEMBL17593247 0.77 TSHR (0.59) PHGDHALDH1A1KDM4ELMNAMAPT
SCHEMBL31610139 0.75 PHGDH (0.64) PHGDHALDH1A1KDM4ELMNA
SCHEMBL28124044 0.75 MAPT (0.62) PHGDHALDH1A1KDM4ELMNAMAPT
SCHEMBL26673912 0.74 MAPT (0.62) MAPT
SCHEMBL17593103 0.74 PHGDH (0.43) PHGDHKDM4EMAPT
SCHEMBL26673830 0.74 MEN1 (0.60) PHGDHALDH1A1MAPT
SCHEMBL9967797 0.74 CA1 (0.64) ALDH1A1KDM4ELMNA

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
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