SCHEMBL14317875

SCHEMBL14317875

COc1ccc(N(Cc2cccnc2)C(=O)c2sc3ccccc3c2Cl)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK1 P49759 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TP53 P04637 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL14325654 0.93 LMNA (0.51) LMNADYRK1ACLK1MAPTSMN1; SMN2
SCHEMBL14246970 0.90 HPGD (0.55) LMNAMAPTSMN1; SMN2TP53POLB
SCHEMBL14317872 0.90 DYRK1A (0.56) LMNADYRK1AMAPTSMN1; SMN2POLB
SCHEMBL14246865 0.83 DYRK1A (0.56) LMNADYRK1AMAPTSMN1; SMN2POLB
SCHEMBL14317873 0.81 MAPT (0.49) LMNADYRK1AMAPTSMN1; SMN2POLB
SCHEMBL14317874 0.80 MAPT (0.48) LMNADYRK1AMAPTSMN1; SMN2POLB
SCHEMBL14317877 0.80 NPSR1 (0.49) LMNADYRK1AMAPTSMN1; SMN2TP53
SCHEMBL14246858 0.77 MAPT (0.50) LMNADYRK1AMAPTSMN1; SMN2POLB
SCHEMBL14317871 0.76 MAPT (0.49) LMNADYRK1AMAPTSMN1; SMN2TP53
SCHEMBL14317880 0.76 SMN1; SMN2 (0.48) LMNADYRK1AMAPTSMN1; SMN2TP53

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
WO-2012174488-A2 AGENTS AND METHODS FOR TREATING ISCHEMIC AND OTHER DISEASES NONO, INC. (CA) 2012-12-20 — — WO disclosed
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