SCHEMBL6830646

SCHEMBL6830646

CC(C)c1cc(=O)[nH]nc1-c1sc(NC(=O)C2CC2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.53
ADORA1 P30542 4/20 0.53
XIAP P98170 3/20 0.46
GSK3A P49840 5/20 0.44
GSK3B P49841 5/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
CDK2 P24941 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL6825783 0.85 ADORA1 (0.56) ADORA2AADORA1XIAPMEN1KMT2A
SCHEMBL6828357 0.84 ADORA2A (0.51) ADORA2AADORA1XIAPKMT2AMAPT
SCHEMBL6825903 0.83 HPGD (0.47) ADORA2AADORA1XIAPMEN1KMT2A
SCHEMBL6830337 0.83 ADORA2A (0.50) ADORA2AADORA1XIAPKMT2AALDH1A1
SCHEMBL6828670 0.83 XIAP (0.44) ADORA2AADORA1XIAPMEN1KMT2A
SCHEMBL6830910 0.83 ALDH1A1 (0.46) ADORA2AADORA1XIAPKMT2AALDH1A1
SCHEMBL6828483 0.83 XIAP (0.44) ADORA2AADORA1XIAPALDH1A1MAPT
SCHEMBL6826020 0.83 NPC1 (0.48) ADORA2AADORA1XIAPKMT2AALDH1A1
SCHEMBL6828830 0.82 ADORA2A (0.48) ADORA2AADORA1XIAPMEN1KMT2A
SCHEMBL6828894 0.81 SMN1; SMN2 (0.44) ADORA2AADORA1XIAPALDH1A1KDM4E

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-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed