SCHEMBL9029932

SCHEMBL9029932

CCCCNS(=O)(=O)c1ccc(C(=N)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS6 Q8IU80 6/20 0.53
F2 P00734 3/20 0.53
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PLAU P00749 1/20 0.51
HPN P05981 1/20 0.51
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
GFER P55789 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL12348116 0.91 TMPRSS6 (0.57) TMPRSS6F2LMNASMN1; SMN2ALDH1A1
SCHEMBL14599528 0.89 ALDH1A1 (0.57) TMPRSS6F2LMNASMN1; SMN2ALDH1A1
SCHEMBL14599613 0.89 ALDH1A1 (0.57) TMPRSS6F2LMNASMN1; SMN2ALDH1A1
SCHEMBL14599610 0.89 ALDH1A1 (0.57) TMPRSS6F2LMNASMN1; SMN2ALDH1A1
SCHEMBL5541901 0.89 ALDH1A1 (0.57) TMPRSS6F2LMNASMN1; SMN2ALDH1A1
SCHEMBL12348122 0.87 TMPRSS6 (0.58) TMPRSS6F2CA12CA1CA2
Hydrochloric Acid SCHEMBL27601325 0.83 TMPRSS6 (0.56) TMPRSS6F2LMNACA12CA1
SCHEMBL13956882 0.81 CA1 (0.57) LMNAHTTSMN1; SMN2CA12CA1
SCHEMBL14599604 0.80 ALDH1A1 (0.59) TMPRSS6F2LMNAHTTSMN1; SMN2
SCHEMBL8409042 0.79 LMNA (0.60) TMPRSS6F2LMNACA1CA2

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
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed