SCHEMBL3814101

SCHEMBL3814101

COCc1ccsc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
PKM P14618 1/20 0.42
BCAT2 O15382 1/20 0.42
SLC6A1 P30531 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPK8 P45983 4/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
IKBKB O14920 2/20 0.36
MAPK1 P28482 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
SCHEMBL12508090 0.85 SLC6A1 (0.43) SLC6A1KDM4EKMT2AMAPK8MAPK10
SCHEMBL2658375 0.84 KMT2A (0.47) SLC6A1POLBKMT2AMEN1CYP1A2
SCHEMBL2279587 0.81 BCAT2 (0.47) PKMBCAT2ALDH1A1KDM4EPOLB
SCHEMBL1935630 0.80 LTB4R (0.40) PKMBCAT2ALDH1A1KDM4EPOLB
SCHEMBL31322640 0.77 BCAT2 (0.52) PKMBCAT2ALDH1A1KDM4EPOLB
SCHEMBL3077087 0.76 PKM (0.43) PKMBCAT2ALDH1A1KMT2AMAPK8
SCHEMBL21356996 0.74 BCAT2 (0.44) PKMBCAT2ALDH1A1KDM4EPOLB
SCHEMBL4045273 0.74 PKM (0.41) PKMBCAT2ALDH1A1MAPK8MAPK10
SCHEMBL15286612 0.72 GPR35 (0.43) PKMBCAT2ALDH1A1
SCHEMBL9784428 0.72 BCAT2 (0.40) PKMBCAT2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP claimed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO claimed
WO-2009142588-A1 COMBINATION OF (A) A CHEMOKINE RECEPTOR 1 (CCR1) ANTAGONIST AND (B) GLUCOCORTICOID RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
WO-2009142568-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A B2-AGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
WO-2009142589-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A MUSCARINIC ANTAGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed