SCHEMBL21078129

SCHEMBL21078129

CCC1CCC(C(=O)C2CCC(C(=O)c3ccc(SC)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
PLK1 P53350 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL5187629 0.84 SLC18A3 (0.56) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL5187550 0.78 ALDH1A1 (0.57) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL6988277 0.78 ALDH1A1 (0.57) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL2993708 0.77 SRD5A2 (0.57) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL13874024 0.74 MEN1 (0.66) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL11758964 0.74 LMNA (0.39) ALDH1A1KMT2APOLBMEN1PKM
Hydrochloric Acid SCHEMBL3846012 0.73 MEN1 (0.69) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL4771785 0.71 SLC18A3 (0.56) SLC18A3ALDH1A1KDM4EKMT2APOLB
SCHEMBL13906351 0.68 ESR2 (0.42) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL13906347 0.68 ESR2 (0.42) ALDH1A1KMT2AMEN1MAPK1LMNA

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-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed