SCHEMBL20333473

SCHEMBL20333473

O=C(NCCc1ccccn1)c1ccccc1-c1ncc(-c2ccccc2F)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KCNA5 P22460 5/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
KCNA3 P22001 2/20 0.47
KCNK3 O14649 1/20 0.47
POLB P06746 1/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.44
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL20333479 0.89 HTT (0.51) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20332801 0.89 KCNA5 (0.48) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20333474 0.88 NAMPT (0.50) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20332814 0.88 KCNA5 (0.48) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20333476 0.88 LMNA (0.58) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20332816 0.87 KCNA5 (0.52) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20332802 0.87 KCNA5 (0.48) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20332803 0.86 KCNA5 (0.50) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20333475 0.85 LMNA (0.48) SMN1; SMN2KCNA5LMNAHTTKCNA3
SCHEMBL20333478 0.85 LMNA (0.58) SMN1; SMN2KCNA5LMNAHTTKCNA3

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