SCHEMBL8553968

SCHEMBL8553968

Cc1nn(C2CCN(C)CC2)c(N)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NR3C1 P04150 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.30
LRRK2 Q5S007 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL31194597 0.89 TSHR (0.42) ALOX15GAATSHRHPGDKMT2A
SCHEMBL1717600 0.86 HPGD (0.49) GAATSHRHPGDKMT2AALDH1A1
SCHEMBL31194470 0.86 HPGD (0.46) ALOX15GAATSHRHPGDKMT2A
SCHEMBL4498872 0.84 HPGD (0.51) TSHRHPGDKMT2AALDH1A1LMNA
SCHEMBL1717108 0.82 TSHR (0.38) GAATSHRHPGDKMT2AALDH1A1
SCHEMBL7317011 0.77 MAPT (0.40) GAASMN1; SMN2TSHRHPGDKMT2A
SCHEMBL8554183 0.77 TSHR (0.58) TSHRHRH3POLB
SCHEMBL7320980 0.77 LRRK2 (0.37) GAATSHRHPGDKMT2AALDH1A1
SCHEMBL7316681 0.73 TSHR (0.38) TSHRHPGDKMT2AALDH1A1LMNA
SCHEMBL16513295 0.72 SMN1; SMN2 (0.51) ALOX15GAASMN1; SMN2HPGDHRH3

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed