SCHEMBL6828972

SCHEMBL6828972

CC(C)c1cc(=O)[nH]nc1-c1sc(NC(=O)c2ccc(CN3CCCC3)cc2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
ADORA2A P29274 7/20 0.43
ADORA1 P30542 4/20 0.43
ALK Q9UM73 1/20 0.43
TNIK Q9UKE5 2/20 0.43
HTR2C P28335 2/20 0.43
MCHR1 Q99705 2/20 0.43
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ADORA3 P0DMS8 2/20 0.42

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
SCHEMBL6828379 0.95 ALK (0.49) TRPV4ALKTNIKKITFLT3
SCHEMBL6828984 0.93 ALK (0.47) TRPV4SMN1; SMN2HPGDKMT2AMAPT
Hydrochloric Acid SCHEMBL6828860 0.85 ALDH1A1 (0.47) TRPV4SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL6830337 0.83 ADORA2A (0.50) SMN1; SMN2KMT2AADORA2AADORA1HTR2C
SCHEMBL6826020 0.83 NPC1 (0.48) SMN1; SMN2HPGDKMT2AADORA2AADORA1
SCHEMBL6828729 0.83 ADORA1 (0.57) SMN1; SMN2KMT2AMAPTADORA2AADORA1
SCHEMBL6825903 0.82 HPGD (0.47) TRPV4SMN1; SMN2HPGDKMT2AMAPT
SCHEMBL6828434 0.81 HDAC1 (0.44) SMN1; SMN2KMT2AMAPTADORA2AADORA1
SCHEMBL6828357 0.81 ADORA2A (0.51) KMT2AMAPTADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL6829009 0.81 HPGD (0.43) TRPV4SMN1; SMN2HPGDKMT2AMAPT

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