SCHEMBL4814034

SCHEMBL4814034

O=C(O)c1csc2nc(SCc3ccccc3)c(C3=NCCCN3)n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
PPARG P37231 1/20 0.35
PTPRC P08575 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6745024 0.78 TSHR (0.39) ALDH1A1GAATSHRNISCHKDM4E
Formic Acid SCHEMBL4814029 0.77 POLB (0.36) EGFRERBB2ALDH1A1CYP2C9GAA
SCHEMBL4070724 0.67 NISCH (0.51) GAATSHRNISCHL3MBTL1
Bromide SCHEMBL4909528 0.66 NISCH (0.50) GAATSHRNISCHL3MBTL1
SCHEMBL10997977 0.63 L3MBTL1 (0.68) GAATSHRNISCHLMNAL3MBTL1
SCHEMBL4823615 0.62 NISCH (0.57) GAATSHRNISCHL3MBTL1
SCHEMBL4825348 0.61 NISCH (0.52) GAATSHRNISCH
SCHEMBL4071617 0.59 NISCH (0.61) ALDH1A1TSHRNISCHKDM4ELMNA
SCHEMBL4013195 0.59 PPARG (0.43) CYP2C9GAATSHRNISCHPPARG
SCHEMBL4159436 0.59 NISCH (0.49) GAATSHRNISCHL3MBTL1

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-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed