SCHEMBL11535261

SCHEMBL11535261

NCCc1nnnn1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.35
GAA P10253 1/20 0.35
HSD11B1 P28845 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9602466 0.84 KDM4C (0.53) KDM4CALDH1A1HPGDNAALAD2GAA
SCHEMBL9602462 0.84 KDM4C (0.53) KDM4CALDH1A1HPGDNAALAD2GAA
SCHEMBL4135826 0.84 KDM4C (0.53) KDM4CALDH1A1HPGDNAALAD2HSD11B1
SCHEMBL13872406 0.83 KDM4C (0.55) KDM4CALDH1A1HPGDNAALAD2GAA
SCHEMBL28695451 0.82 KDM4C (0.51) KDM4CALDH1A1HPGDNAALAD2GAA
SCHEMBL18839933 0.82 KDM4C (0.51) KDM4CALDH1A1HPGDGAATRPV1
SCHEMBL3728791 0.79 KDM4C (0.55) KDM4CALDH1A1HPGDNAALAD2GAA
SCHEMBL11802408 0.78 KDM4C (0.48) KDM4CALDH1A1HPGDMAPK1
SCHEMBL20223332 0.78 KDM4C (0.54) KDM4CALDH1A1HPGDGAATRPV1
SCHEMBL6952050 0.78 KDM4C (0.54) KDM4CALDH1A1HPGDNAALAD2GAA

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