SCHEMBL7219261

SCHEMBL7219261

Cc1cccc(C2(C)OCC(C)O2)c1NC(=O)CCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 6/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 3/20 0.35
SCN3A Q9NY46 3/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL7218182 0.89 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7225138 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218518 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218471 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7219654 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL11037029 0.76 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4SCN4A
SCHEMBL11040978 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL307790 0.72 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7223109 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNACYP2C19POLB
SCHEMBL7223274 0.70 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNACYP2C19POLB

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 3 patents. 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
US-4465502-A Herbicidal N-haloacetyl-2-substituted-6-acylanilines CHEVRON RESEARCH COMPANY (US) 1984-08-14 US claimed
US-4465502-A Herbicidal N-haloacetyl-2-substituted-6-acylanilines CHEVRON RESEARCH COMPANY (US) 1984-08-14 US disclosed