SCHEMBL19719710

SCHEMBL19719710

NN/N=C(\N)c1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.47
▸ ADRA2A P08913 2/20 0.44
▸ ADRA2B P18089 2/20 0.44
▸ ADRA2C P18825 2/20 0.44
▸ DGAT1 O75907 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ KCNQ3 O43525 2/20 0.38
▸ KCNQ2 O43526 2/20 0.38
▸ KCNE1 P15382 2/20 0.38
▸ KCNQ1 P51787 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL22415211 0.80 DGAT1 (0.46) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL1726659 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL1726660 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL17778492 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL30515503 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL23845464 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL13342190 0.79 NAPRT (0.52) NAPRTADRA2AADRA2BADRA2CDGAT1
SCHEMBL23845527 0.79 NNMT (0.42) ADRA2AADRA2BADRA2CTDP1GAA
SCHEMBL23212891 0.78 KDM4E (0.47) NAPRTADRA2AADRA2BADRA2CRAB9A
SCHEMBL23212893 0.78 KDM4E (0.47) NAPRTADRA2AADRA2BADRA2CRAB9A

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
EP-3257851-B1 SALT FORM AND CRYSTAL FORM OF 1,2,5 THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE JIANGSU KANION PHARMACEUTICAL CO LTD (CN) 2020-09-09 — — EP disclosed
EP-3257851-A1 SALT FORM AND CRYSTAL FORM OF 1,2,5 THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE Jiangsu Kanion Pharmaceutical Co., Ltd. (CN) 2017-12-20 — — EP disclosed
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