SCHEMBL5175754

SCHEMBL5175754

CCCc1c(C(=O)O)cc(N(C)S(C)(=O)=O)c(C)c1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.33
▸ LDHB P07195 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PSMD14 O00487 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
SCHEMBL5175085 0.74 LDHA (0.38) LDHALDHBKDM4EPSMD14RECQL
SCHEMBL14989173 0.67 LDHA (0.49) LDHALDHBKDM4EPSMD14RECQL
SCHEMBL3352707 0.66 ALDH1A1 (0.41) LDHALDHBKDM4EKMT2AALDH1A1
SCHEMBL5186125 0.65 HSD17B10 (0.40) KMT2AALDH1A1
SCHEMBL5349926 0.65 PRKCI (0.38) LDHALDHB
SCHEMBL4542790 0.65 F7 (0.42) KMT2AALDH1A1
SCHEMBL5174296 0.64 CFTR (0.35) LDHALDHBKDM4EKMT2AALDH1A1
SCHEMBL9316023 0.64 KMT2A (0.38) KMT2AALDH1A1POLB
SCHEMBL7558061 0.63 CSNK2A1 (0.44) KMT2AALDH1A1POLB
SCHEMBL19084967 0.63 CSNK2A1 (0.49) KMT2AALDH1A1POLB

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
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