SCHEMBL6825903

SCHEMBL6825903

CC(C)c1cc(=O)[nH]nc1-c1sc(NC(=O)N2CCCCC2)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
PTGS2 P35354 4/20 0.46
XIAP P98170 5/20 0.45
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
TRPV4 Q9HBA0 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37

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
Hydrochloric Acid SCHEMBL6828860 0.85 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL6830646 0.83 ADORA2A (0.53) HPGDALDH1A1KDM4ELMNAXIAP
Hydrochloric Acid SCHEMBL6829009 0.83 HPGD (0.43) HPGDSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL6828972 0.82 TRPV4 (0.47) HPGDSMN1; SMN2KDM4EMAPTKMT2A
SCHEMBL6825783 0.81 ADORA1 (0.56) HPGDALDH1A1XIAPMAPTKMT2A
Hydrochloric Acid SCHEMBL6828816 0.81 ALDH1A1 (0.47) HPGDSMN1; SMN2ALDH1A1KDM4EPTGS2
SCHEMBL6828357 0.81 ADORA2A (0.51) XIAPMAPTKMT2AADORA2AADORA1
SCHEMBL6830910 0.80 ALDH1A1 (0.46) HPGDALDH1A1KDM4ELMNAXIAP
SCHEMBL6828670 0.80 XIAP (0.44) SMN1; SMN2ALDH1A1LMNAXIAPMAPT
SCHEMBL6830337 0.80 ADORA2A (0.50) SMN1; SMN2ALDH1A1KDM4ELMNAXIAP

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