SCHEMBL11530873

SCHEMBL11530873

NCCC1(CC(=O)O)N=NN=N1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.32
BLM P54132 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
GABRR3 A8MPY1 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
HDAC3 O15379 1/20 0.31
GABBR2 O75899 1/20 0.31
THRB P10828 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 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
SCHEMBL444646 0.73 FFAR3 (0.35) HDAC3HDAC1HDAC2HDAC8
SCHEMBL4742254 0.67 GABRA5 (0.34) LMNACYP1A2TSHRBLMUSP2
SCHEMBL11202064 0.62 TSHR (0.32) TSHR
SCHEMBL3959082 0.62 CYP2C19 (0.30)
Glycine SCHEMBL421053 0.57 GLRA1 (0.91) LMNACYP1A2TSHRBLMALDH1A1
Glycine SCHEMBL1446288 0.57
SCHEMBL22769188 0.56 LMNA (0.44) LMNACYP1A2TSHRBLMOR51E2
Glycine SCHEMBL6386791 0.54
Glycine SCHEMBL28658007 0.54 GLRA1 (0.83) LMNACYP1A2TSHRBLMALDH1A1
Glycine SCHEMBL9640004 0.54 GLRA1 (0.83) LMNACYP1A2TSHRBLMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 US disclosed