SCHEMBL9057600

SCHEMBL9057600

[CH2]c1cccc(N(Cc2ccccc2)c2ccnn2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NR3C2 P08235 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PGR P06401 1/20 0.31
CYP2C8 P10632 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 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
SCHEMBL9057176 0.85 NR3C2 (0.37) TSHRHDAC6NR3C2GPR52PGR
SCHEMBL9058015 0.78 FGFR1 (0.43) TSHRNR3C2FGFR1FGFR2FGFR4
SCHEMBL8811275 0.74 POLB (0.34) TSHRHDAC6CRHBPCRHR2NR3C2
SCHEMBL9055863 0.71 TSHR (0.33) TSHRCRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL5542387 0.70 TSHR (0.45) TSHRCRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL9056994 0.70 TSHR (0.34) TSHRCRHBPCRHR2NR3C2PTGDR2
SCHEMBL28015765 0.67 TSHR (0.39) TSHRCRHBPCRHR2KMT2ASMN1; SMN2
SCHEMBL9057232 0.67 MAPT (0.36) TSHRKMT2ASMN1; SMN2MAPTKDM4E
SCHEMBL17847924 0.67 USP2 (0.43) TSHRGPR52KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27318591 0.64 MTNR1A (0.40) CRHBPCRHR2NR3C2KMT2ASMN1; SMN2

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed