SCHEMBL28634783

SCHEMBL28634783

CC(C)c1cccc(C(C)C)c1NC(=O)Cl

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
KMT2A Q03164 2/20 0.61
LMNA P02545 1/20 0.61
MEN1 O00255 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NLRP3 Q96P20 2/20 0.50
LPAR1 Q92633 2/20 0.50
SOAT2 O75908 1/20 0.49
SOAT1 P35610 1/20 0.49

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
SCHEMBL14315508 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL6429941 0.83 KMT2A (0.65) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL462304 0.83 LPAR1 (0.66) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL11559234 0.82 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL8845511 0.82 KMT2A (0.68) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL1726368 0.82 KMT2A (0.62) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL9850986 0.80 KMT2A (0.61) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL8819876 0.80 KMT2A (0.61) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL9843936 0.80 SMN1; SMN2 (0.77) SMN1; SMN2KMT2ALMNAMEN1TDP1
SCHEMBL9723517 0.80 KMT2A (0.61) SMN1; SMN2KMT2ALMNAMEN1TDP1

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
CN-112679388-A Preparation method and preparation device of 2, 6-diisopropylbenzene isocyanate 浙江丽水有邦新材料有限公司 2021-04-20 CN disclosed