SCHEMBL11545754

SCHEMBL11545754

CSCCn1ncc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 3/20 0.33
GLA P06280 1/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11545682 0.80 TSHR (0.36) TSHRLMNAGLAMAPTSMN1; SMN2
SCHEMBL11546972 0.78 GLA (0.38) TSHRLMNAGLAMAPTCYP3A4
SCHEMBL5202849 0.78 MAPT (0.41) LMNAGLAMAPTSMN1; SMN2CYP3A4
SCHEMBL11544982 0.75 TSHR (0.40) TSHRKMT2A
SCHEMBL11545003 0.74 TSHR (0.40) TSHRMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL11544871 0.73 PARP1 (0.39) TSHRMAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL11547934 0.71 LMNA (0.34) LMNAMAPTSMN1; SMN2CYP3A4BLM
SCHEMBL11549665 0.71 MEN1 (0.43) TSHRLMNAMAPTSMN1; SMN2KDM4E
SCHEMBL11545798 0.70 SIRT2 (0.38) CYP3A4JAK2JAK3KDM4EKMT2A
SCHEMBL11474476 0.70 ATM (0.35) LMNAMAPTSMN1; SMN2CYP3A4BLM

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-4166820-A Selenium compounds SPALLHOLZ JULIAN E 1979-09-04 US disclosed