SCHEMBL7217868

SCHEMBL7217868

COCc1ccc(C(C)(C)C)c(NC(=O)CCl)c1COC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.37
EGFR P00533 1/20 0.35
GSTO1 P78417 4/20 0.34
HTT P42858 4/20 0.34
JAK2 O60674 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
CASP2 P42575 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32

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
SCHEMBL7217431 0.83 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL7217581 0.78 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1LMNAEGFR
SCHEMBL7224806 0.74 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1LMNAEGFR
SCHEMBL7219630 0.72 ALDH1A1 (0.53) SMN1; SMN2MAPTKMT2AALDH1A1LMNA
SCHEMBL7224215 0.71 SMN1; SMN2 (0.47) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL7223596 0.71 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1LMNAEGFR
SCHEMBL7223947 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1LMNAEGFR
SCHEMBL7223759 0.71 ALDH1A1 (0.49) SMN1; SMN2KDM4EMAPTMEN1KMT2A
SCHEMBL7224466 0.70 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL7225429 0.70 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EMAPTALDH1A1LMNA

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