SCHEMBL8068459

SCHEMBL8068459

CN(C)CCc1ccc(Oc2cc(Cl)c(C(=O)NC(=N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
BMP1 P13497 2/20 0.35
ACACB O00763 1/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
Hydrochloric Acid SCHEMBL8073473 0.89 THRA (0.36) BMP1THRATHRBF10PRSS1
SCHEMBL8059451 0.86 LMNA (0.38) LMNAMAPK1HTR2ASLC6A4ACACB
SCHEMBL8068838 0.84 ALDH1A1 (0.41) SCN9ALMNAALDH1A1BMP1THRA
SCHEMBL8059376 0.84 SCN9A (0.44) SCN9ALMNAALDH1A1HTTKMT2A
SCHEMBL8059397 0.84 THRA (0.42) LMNASLC6A4BMP1THRATHRB
SCHEMBL8070202 0.83 SCN9A (0.39) SCN9ALMNAMAPK1HTR2ASLC6A4
SCHEMBL8068470 0.83
SCHEMBL8059495 0.83 THRA (0.41) LMNASLC6A4BMP1THRATHRB
SCHEMBL8070524 0.81 FLT1 (0.42) SCN9A
SCHEMBL8074945 0.81 F10 (0.35) SCN9ALMNAMAPK1ALDH1A1BMP1

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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed