SCHEMBL3409925

SCHEMBL3409925

Cc1ccc(N(C(=O)Nc2c(C(C)C)cccc2C(C)C)C(Sc2ccccc2-c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NMBR P28336 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NLRP3 Q96P20 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
GRPR P30550 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3414059 0.76 NMBR (0.47) KMT2ALMNANMBRALDH1A1CYP3A4
SCHEMBL3430783 0.75 SMN1; SMN2 (0.45) KMT2ALMNANMBRSMN1; SMN2UBE2M
SCHEMBL3414001 0.75 NMBR (0.45) KMT2ALMNANMBRMEN1ALDH1A1
SCHEMBL3409923 0.73 SOAT2 (0.39) KMT2ALMNAMEN1SMN1; SMN2L3MBTL1
SCHEMBL3410912 0.67 NLRP3 (0.43) KMT2ALMNANLRP3
SCHEMBL3412557 0.66 NLRP3 (0.46) KMT2ANMBRMEN1NLRP3TDP1
SCHEMBL3414079 0.66 NMBR (0.49) KMT2ALMNANMBRMEN1ALDH1A1
SCHEMBL3409553 0.66 ALDH1A1 (0.47) KMT2ANMBRMEN1ALDH1A1CYP3A4
SCHEMBL3407725 0.64 ALDH1A1 (0.48) KMT2ALMNANMBRALDH1A1CYP3A4
SCHEMBL3405365 0.64 PKM (0.36) LMNATP53GAANMBRCYP3A4

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
EP-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed