SCHEMBL4634541

SCHEMBL4634541

Nc1ccsc1OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.32
BCAT2 O15382 1/20 0.32
POLB P06746 1/20 0.32
NR4A1 P22736 1/20 0.32
RECQL P46063 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AXL P30530 1/20 0.31
PTK2 Q05397 1/20 0.31

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
SCHEMBL6609300 0.86 RAB9A (0.37) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3807655 0.84 MEN1 (0.34) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL4607918 0.82 KDM4E (0.36) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL27617435 0.81 ESR1 (0.41) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3671086 0.77 KMT2A (0.33) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL9351950 0.77 GSK3B (0.41) KMT2AMEN1MAPTNPC1RAB9A
SCHEMBL10587921 0.77 KMT2A (0.37) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL9416574 0.76 HDAC3 (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL4636562 0.75 MAPT (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL10369277 0.75 KDM4E (0.33) KMT2AMEN1ALDH1A1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928868-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2008-06-11 EP disclosed
WO-2007028520-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed