SCHEMBL27633162

SCHEMBL27633162

COC(=O)c1ccc(NC(=S)CNN=C(C)c2nn(C)c(-c3ccc(C(F)(F)F)cc3)c2O)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
GRM5 P41594 1/20 0.33
P2RX1 P51575 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
HPD P32754 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 3/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1483587 0.89 TRPV1 (0.38) TRPV1MYCMAXGRM5P2RX1
SCHEMBL3985618 0.89 TRPV1 (0.38) TRPV1MYCMAXGRM5P2RX1
SCHEMBL27653479 0.88 GRM5 (0.34) GRM5SMN1; SMN2POLBMAPTMEN1
SCHEMBL27653486 0.88 MEN1 (0.36) GRM5P2RX1SMN1; SMN2POLBMAPT
SCHEMBL1483688 0.83 MAPT (0.36) TRPV1SMN1; SMN2POLBMAPTMEN1
SCHEMBL12830116 0.83 MAPT (0.36) TRPV1SMN1; SMN2POLBMAPTMEN1
SCHEMBL1483686 0.83 MAPT (0.36) TRPV1SMN1; SMN2POLBMAPTMEN1
SCHEMBL5750568 0.82 SIRT5 (0.39) TRPV1GRM5P2RX1TRPM8TRPV4
SCHEMBL12829978 0.82 SIRT5 (0.39) TRPV1GRM5P2RX1TRPM8TRPV4
SCHEMBL1483289 0.82 SIRT5 (0.39) TRPV1GRM5P2RX1TRPM8TRPV4

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
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed