SCHEMBL20332802

SCHEMBL20332802

O=C(NCCc1ccccn1)c1ccccc1-c1cnc(-c2ccccc2O)s1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KCNA3 P22001 2/20 0.48
KCNK3 O14649 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL20332801 0.96 KCNA5 (0.48) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333479 0.90 HTT (0.51) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20332803 0.89 KCNA5 (0.50) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333478 0.88 LMNA (0.58) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333473 0.87 SMN1; SMN2 (0.51) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20332814 0.87 KCNA5 (0.48) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333476 0.86 LMNA (0.58) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20332816 0.86 KCNA5 (0.52) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333474 0.83 NAMPT (0.50) KCNA5LMNAHTTKCNA3KCNK3
SCHEMBL20333034 0.81 LMNA (0.51) KCNA5LMNAHTTKCNA3KCNK3

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-2018117166-A1 THIAZOLE DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME キッセイ薬品工業株式会社 2018-06-28 WO disclosed