SCHEMBL5287621

SCHEMBL5287621

O=C(O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.54
TACR3 P29371 1/20 0.54
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
STAT3 P40763 1/20 0.46
ECE1 P42892 1/20 0.45
RAB9A P51151 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 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
SCHEMBL5062062 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL5057786 0.81 CNR1 (0.48) LMNA
SCHEMBL2188126 0.81 ALDH1A1 (0.50) TACR1TACR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL14432821 0.78 HDAC1 (0.44) TACR1TACR3ALDH1A1SMN1; SMN2LMNA
SCHEMBL2186733 0.76 KDM4E (0.48) ALDH1A1KMT2AKDM4EBRD4POLB
SCHEMBL1228585 0.75 FAAH (0.42) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL27679675 0.74 LMNA (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL1043735 0.74 MEN1 (0.54) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL13162592 0.74 EPHX2 (0.39) SMN1; SMN2LMNAMAPT
SCHEMBL1851840 0.74 KMT2A (0.73) TACR1TACR3ALDH1A1SMN1; SMN2LMNA

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
EP-1832586-A1 Thiazole-piperidine derivatives in treatment of diseases of liver and the pancreas Oridis Biomed Forschungs- und Entwicklungs GmbH (AT) 2007-09-12 EP disclosed