SCHEMBL10401002

SCHEMBL10401002

CSc1ccc(Cl)cc1N(C(N)=O)c1nc2c(c(C(F)(F)F)n1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 10/20 0.35
POLB P06746 3/20 0.35
TP53 P04637 7/20 0.34
PDE4B Q07343 1/20 0.34
ACHE P22303 4/20 0.33
BCHE P06276 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL10401003 0.88 L3MBTL1 (0.38) HTTSMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL9539991 0.87 HPGD (0.36) SMN1; SMN2L3MBTL1MAPTPOLBTP53
SCHEMBL9536850 0.86 ACHE (0.37) SMN1; SMN2L3MBTL1MAPTPOLBTP53
SCHEMBL9536972 0.86 ACHE (0.37) SMN1; SMN2L3MBTL1MAPTPOLBTP53
SCHEMBL9540194 0.85 POLB (0.38) SMN1; SMN2L3MBTL1MAPTPOLBTP53
SCHEMBL10400945 0.83 MAPT (0.35) HTTSMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL10400743 0.77 SMN1; SMN2 (0.39) SMN1; SMN2L3MBTL1MAPTPOLBTP53
SCHEMBL10400778 0.76 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL10400133 0.76 SMN1; SMN2 (0.40) HTTSMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL10517367 0.75 TP53 (0.39) KMT2ASMN1; SMN2L3MBTL1MAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973690-A PYRIMIDIN-2-YL UREAS, HERBICICES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1990-11-27 US disclosed
EP-0337944-A1 Ureas CIBA-GEIGY AG (CH) 1989-10-18 EP disclosed