SCHEMBL3778563

SCHEMBL3778563

O=c1[nH]sc(=Nc2cccc(Cl)c2Cl)n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
IDO1 P14902 3/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
POLB P06746 1/20 0.38
P2RX7 Q99572 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
UBE2N P61088 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL12961073 0.82 IDO1 (0.40) MAPTIDO1GRIN1GRIN2BPOLB
SCHEMBL1051364 0.82 IDO1 (0.40) MAPTIDO1GRIN1GRIN2BPOLB
SCHEMBL1051365 0.82 IDO1 (0.40) MAPTIDO1GRIN1GRIN2BPOLB
SCHEMBL11297037 0.80 KDM4E (0.41) MAPTIDO1GRIN1GRIN2BPOLB
SCHEMBL3705615 0.70 GRIN1 (0.42) MAPTGRIN1GRIN2BKMT2AALDH1A1
SCHEMBL1050226 0.70 CTSK (0.43) MAPTGRIN1GRIN2BKMT2AALDH1A1
SCHEMBL3705617 0.70 GRIN1 (0.42) MAPTGRIN1GRIN2BKMT2AALDH1A1
SCHEMBL1050227 0.70 CTSK (0.43) MAPTGRIN1GRIN2BKMT2AALDH1A1
SCHEMBL11297039 0.69 RGS4 (0.44) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL11297038 0.69 GRIN1 (0.42) MAPTGRIN1GRIN2BKDM4EALDH1A1

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-2451794-A2 1,2,4-THIAZOLIDIN-3-ONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BALTIC BIO AB (SE) 2012-05-16 EP disclosed