SCHEMBL8501601

SCHEMBL8501601

O=C(O)CCCCCCNc1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.52
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
PMP22 Q01453 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ADRA1A P35348 1/20 0.48
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH3 Q9ULD8 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL3135531 1.00 PRMT1 (0.52) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL284282 1.00 PRMT1 (0.52) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL16331021 0.98 PRMT1 (0.50) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL8972356 0.98 PRMT1 (0.50) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL3148784 0.98 KMT2A (0.52) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL3132786 0.96 KMT2A (0.56) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL3140673 0.96 KMT2A (0.56) PRMT1LMNAKMT2ATSHRNFKB1
Carbamic Acid SCHEMBL16612714 0.94 PRMT1 (0.47) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL8830408 0.93 KMT2A (0.53) PRMT1LMNAKMT2ATSHRNFKB1
SCHEMBL8830489 0.93 KMT2A (0.53) PRMT1LMNAKMT2ATSHRNFKB1

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
EP-0835289-B1 AMINOSILANE SALTS AND SILANAMIDES OF CARBOXYLIC ACIDS AS CORROSION INHIBITORS CIBA GEIGY AG (CH) 1999-05-19 EP disclosed