SCHEMBL8625324

SCHEMBL8625324

C=CCn1c(S)nnc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.40
CA9 Q16790 12/20 0.40
CA12 O43570 11/20 0.40
CA1 P00915 8/20 0.40
CA7 P43166 2/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RCE1 Q9Y256 1/20 0.38
PTGS2 P35354 4/20 0.38

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
SCHEMBL28820618 0.79 MAPT (0.54) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL13401049 0.78 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL14557033 0.76 L3MBTL1 (0.38) L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL8628373 0.74 CA2 (0.51) CA2CA9CA12CA1CA7
SCHEMBL8629241 0.73 CA2 (0.40) CA2CA9CA12CA1CA7
SCHEMBL4212359 0.70 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL19604862 0.69 LMNA (0.53) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL28820683 0.69 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTTHRBHPGD
SCHEMBL4208984 0.69 TSHR (0.59) L3MBTL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL4203351 0.69 TSHR (0.42) L3MBTL1ALDH1A1KDM4EMAPTHPGD

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