SCHEMBL8632017

SCHEMBL8632017

C=CCn1c(S)nnc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11245537 0.81 CYP3A4 (0.46) CYP3A4
SCHEMBL7806190 0.72 CYP3A4 (0.38) CYP3A4
SCHEMBL11847478 0.71 CYP3A4 (0.37) CYP3A4SMN1; SMN2
SCHEMBL391932 0.69 MAPT (0.37) SMN1; SMN2
SCHEMBL14557033 0.68 L3MBTL1 (0.38) CYP3A4SMN1; SMN2
SCHEMBL11668052 0.67 CYP3A4 (0.38) CYP3A4
SCHEMBL11497388 0.67 CYP3A4 (0.42) CYP3A4
SCHEMBL11811552 0.65 RAB9A (0.42) SMN1; SMN2
SCHEMBL6566578 0.65 LMNA (0.51) CYP3A4
SCHEMBL11665488 0.65 L3MBTL1 (0.36) CYP3A4SMN1; 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 6 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-4477459-A Fungicidal 4-substituted-5-trifluoromethyl-3-(1,2-dichloro-2-cyanovinyl thio)-1,2,4-triazoles CHEVRON RESEARCH COMPANY (US) 1984-10-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed