SCHEMBL6985040

SCHEMBL6985040

COc1cccc(C2=N[C@@](C)(OC(=O)O)CS2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GUSB P08236 1/20 0.37
HIF1A Q16665 3/20 0.36
MAPT P10636 6/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL6986273 0.86 HTR2B (0.34) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6314507 0.83 KDM4E (0.41) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL6314505 0.83 KDM4E (0.41) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL6987657 0.81 HTR2B (0.42) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10963143 0.79 KDM4E (0.35) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL6985038 0.76 HTR2B (0.36) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6982545 0.75 ALOX5 (0.33) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4952161 0.75 TYR (0.35) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL6985974 0.73 KDM4E (0.37) KDM4EPKMALDH1A1MAPTHPGD
SCHEMBL11963453 0.70 KDM4E (0.34) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2

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-1302467-A2 Process for the preparation of substituted thiazoline derivatives and their intermediate DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-04-16 EP disclosed