SCHEMBL7219387

SCHEMBL7219387

CCCCOCc1cccc(C(C)(C)C)c1NC(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NLRP3 Q96P20 1/20 0.37
TSHR P16473 2/20 0.36
NR1I2 O75469 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.34
MTNR1A P48039 1/20 0.34
P2RY1 P47900 1/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 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
SCHEMBL7225429 0.88 SMN1; SMN2 (0.43) TDP1SMN1; SMN2NPSR1NLRP3TSHR
SCHEMBL7217431 0.83 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2NPSR1NLRP3
SCHEMBL7223947 0.82 SMN1; SMN2 (0.49) TDP1SMN1; SMN2NLRP3TSHRALDH1A1
SCHEMBL7223596 0.82 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1NLRP3ALDH1A1LMNA
SCHEMBL7223483 0.80 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2NPSR1NLRP3ALDH1A1
SCHEMBL27261071 0.77 SMN1; SMN2 (0.47) TDP1SMN1; SMN2NPSR1NLRP3TSHR
SCHEMBL7223685 0.77 SMN1; SMN2 (0.50) KMT2ATDP1SMN1; SMN2NPSR1NLRP3
SCHEMBL30502814 0.73 NLRP3 (0.56) MEN1KMT2ASMN1; SMN2NLRP3ALDH1A1
SCHEMBL7224731 0.73 ALDH1A1 (0.53) TDP1SMN1; SMN2NPSR1NLRP3ALDH1A1
SCHEMBL5941054 0.73 NLRP3 (0.56) MEN1KMT2ASMN1; SMN2NLRP3ALDH1A1

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed