SCHEMBL20333265

SCHEMBL20333265

O=C(NCCc1ccccn1)c1ccccc1-c1nc(-c2ccccc2)cs1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
HTT P42858 2/20 0.61
ATM Q13315 1/20 0.53
KDM4E B2RXH2 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.52
KCNA5 P22460 5/20 0.51
KCNA3 P22001 2/20 0.51
POLB P06746 1/20 0.51
KCNK3 O14649 1/20 0.51
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL20333057 0.93 LMNA (0.60) LMNAHTTATMKDM4ESMN1; SMN2
SCHEMBL20333034 0.86 LMNA (0.51) LMNAHTTATMKDM4ESMN1; SMN2
SCHEMBL20333476 0.81 LMNA (0.58) LMNAHTTATMKDM4ESMN1; SMN2
SCHEMBL20333478 0.79 LMNA (0.58) LMNAHTTATMKDM4ESMN1; SMN2
SCHEMBL876387 0.78 RAB9A (0.58) LMNAKDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL27680029 0.76 LMNA (1.00) LMNAHTTKDM4ESMN1; SMN2HPGD
SCHEMBL20285149 0.76 LMNA (0.57) LMNAHTTKDM4ESMN1; SMN2HPGD
SCHEMBL20333479 0.76 HTT (0.51) LMNAHTTKDM4ESMN1; SMN2HPGD
SCHEMBL20333473 0.75 SMN1; SMN2 (0.51) LMNAHTTATMKDM4ESMN1; SMN2
SCHEMBL6369514 0.75 KCNA5 (0.58) LMNAHTTKDM4ESMN1; SMN2HPGD

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