SCHEMBL5809191

SCHEMBL5809191

CC(C)Nc1ncnc(Cl)c1Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.41
PNMT P11086 1/20 0.41
HTT P42858 2/20 0.40
RAF1 P04049 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EGFR P00533 2/20 0.40
CDK1 P06493 2/20 0.40
SRC P12931 2/20 0.40
MAPT P10636 1/20 0.40
PDE5A O76074 1/20 0.39
MAP4K4 O95819 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5470044 0.81 ALDH1A1 (0.49) ENPP1PNMTLMNAALDH1A1CDC7
SCHEMBL5812511 0.78 LMNA (0.36) HTTLMNAALDH1A1PKMHPGD
SCHEMBL857948 0.77 ENPP1 (0.49) ENPP1PNMTLMNAALDH1A1HPGD
SCHEMBL11110180 0.73 CDC7 (0.56) HTTRAF1MAPK1LMNACDC7
SCHEMBL5477992 0.69 PNMT (0.48) ENPP1PNMTLMNATAAR1SRC
SCHEMBL5808925 0.66 ALDH1A1 (0.46) LMNAALDH1A1CDC7DBF4TAAR1
SCHEMBL5479186 0.66 ALDH1A1 (0.46) ENPP1LMNAALDH1A1CDC7DBF4
SCHEMBL5816309 0.66 LMNA (0.46) ENPP1LMNAALDH1A1CDC7DBF4
SCHEMBL31029422 0.66 SMN1; SMN2 (0.42) HTTLMNAALDH1A1PKMHPGD
SCHEMBL857333 0.66 ENPP1 (0.45) ENPP1LMNAALDH1A1TAAR1MAPT

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-2006136327-A1 FUNGICIDAL BENZYLPYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-12-28 WO disclosed