SCHEMBL7986040

SCHEMBL7986040

N=C(N)c1ccc(S(=O)(=O)NCc2ccc(OCCCOc3ccc(CNS(=O)(=O)c4ccc(C(=N)N)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 2/20 0.59
PRSS1 P07477 7/20 0.57
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
PRMT1 Q99873 3/20 0.54
F2 P00734 2/20 0.54
ST14 Q9Y5Y6 2/20 0.54
PLAU P00749 1/20 0.54
PRMT5 O14744 1/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
PTP4A3 O75365 1/20 0.54
SLC22A3 O75751 1/20 0.54
F10 P00742 1/20 0.54
PLG P00747 1/20 0.54
S100B P04271 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54

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
SCHEMBL7972038 0.97 PRSS1 (0.59) TMPRSS2PRSS1LMNASMN1; SMN2TSHR
SCHEMBL7989750 0.96 PRMT1 (0.60) TMPRSS2PRSS1LMNASMN1; SMN2TSHR
SCHEMBL7987621 0.96 PRMT1 (0.60) TMPRSS2PRSS1LMNASMN1; SMN2TSHR
SCHEMBL7984022 0.96 PRMT1 (0.60) TMPRSS2PRSS1LMNASMN1; SMN2TSHR
SCHEMBL7972526 0.96 PRSS1 (0.58) TMPRSS2PRSS1LMNASMN1; SMN2TSHR
SCHEMBL7982625 0.85 RAB9A (0.55) PRSS1LMNAHTTF2F10
SCHEMBL7389439 0.83 RAB9A (0.55) PRSS1HTTF2F10PLG
SCHEMBL7986856 0.82 HTT (0.57) LMNASMN1; SMN2HTTF2F10
SCHEMBL7984063 0.82 RAB9A (0.54) PRSS1HTTF2F10PLG
SCHEMBL7986111 0.82 RAB9A (0.54) PRSS1HTTF2F10PLG

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
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US claimed
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed