SCHEMBL7668647

SCHEMBL7668647

CC#COc1ccc(CCNC(=O)C(NSC)c2ccc(C)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.47
MAPT P10636 4/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7675428 0.88 LMNA (0.61) LMNAALDH1A1THRBMAPTCA12
SCHEMBL7668449 0.80 SMN1; SMN2 (0.58) LMNAALDH1A1MAPTCA12CA1
SCHEMBL7676013 0.78 ALDH1A1 (0.50) LMNAALDH1A1MAPTCA12CA1
SCHEMBL7670219 0.78 SMN1; SMN2 (0.48) LMNAALDH1A1MAPTCA12CA1
SCHEMBL7672988 0.77 CA12 (0.49) LMNAALDH1A1MAPTCA12CA1
SCHEMBL7677540 0.77 LMNA (0.50) LMNAALDH1A1THRBMAPTCA12
SCHEMBL7674397 0.76 KMT2A (0.46) LMNAALDH1A1MAPTCA12CA1
SCHEMBL6544478 0.76 ALDH1A1 (0.53) LMNAALDH1A1THRBMAPTCA12
SCHEMBL7672709 0.74 LMNA (0.46) LMNAALDH1A1MAPTCA12CA1
SCHEMBL7676614 0.73 ALDH1A1 (0.44) LMNAALDH1A1MAPTCA12CA1

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-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US claimed