SCHEMBL10988809

SCHEMBL10988809

COC(=O)Nc1cc(Cl)nc(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ POLA1 P09884 1/20 0.44
▸ HRH4 Q9H3N8 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ HSP90AA1 P07900 3/20 0.40
▸ HSP90AB1 P08238 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ ATM Q13315 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
SCHEMBL15942896 0.84 CYP2D6 (0.51) MAPTSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL3804329 0.84 HSP90AA1 (0.47) MAPTSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL10851267 0.82 S1PR2 (0.41) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL28229830 0.78 SMN1; SMN2 (0.61) MAPTSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL13327841 0.78 PKM (0.42) MAPTSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL28861390 0.76 RXFP1 (0.61) MAPTSMN1; SMN2GAALMNAKMT2A
SCHEMBL28229168 0.75 GRM5 (0.60) MAPTSMN1; SMN2GAAPOLBKMT2A
SCHEMBL4098854 0.75 CYP2D6 (0.53) MAPTSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL13322077 0.75 SMN1; SMN2 (0.46) MAPTSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL9638923 0.74 SMN1; SMN2 (0.50) MAPTSMN1; SMN2POLBCYP2D6CYP2C19

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-4549019-A Pyrimidinecarbamate derivatives as intermediates HOFFMANN-LA ROCHE INC. (US) 1985-10-22 — — US disclosed
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