SCHEMBL8629677

SCHEMBL8629677

Cc1nc(CC(=O)O)sc1S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 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
SCHEMBL27970992 0.80 SLC6A3 (0.41) SMN1; SMN2APEX1ALDH1A1PTGDR2MEN1
SCHEMBL10484381 0.78 SLC6A3 (0.41) SMN1; SMN2APEX1PTGDR2MEN1KMT2A
SCHEMBL27860995 0.73 PTGDR2 (0.36) SMN1; SMN2APEX1ALDH1A1PTGDR2MEN1
SCHEMBL18324332 0.73
SCHEMBL1158268 0.69 PTGDR2 (0.40) ALDH1A1PTGDR2MEN1KMT2AGAA
SCHEMBL13301451 0.68 MEN1 (0.41) ALDH1A1PTGDR2MEN1KMT2AGAA
SCHEMBL5545037 0.65 SMN1; SMN2 (0.56) SMN1; SMN2APEX1ALDH1A1PTGDR2GAA
SCHEMBL10403239 0.65 F2 (0.39) SMN1; SMN2APEX1ALDH1A1CYP1A2
SCHEMBL9662773 0.65 F2 (0.39) SMN1; SMN2APEX1ALDH1A1CYP1A2
SCHEMBL7500533 0.65 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAAKDM4EHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed