SCHEMBL5839237

SCHEMBL5839237

CC(C)(C)OC(=O)c1c(N)sc2c1CC(CN1Cc3ccccc3C1=O)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
GRM6 O15303 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
LMNA P02545 1/20 0.34
KEAP1 Q14145 3/20 0.34
NFE2L2 Q16236 3/20 0.34
UCHL1 P09936 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.33
BDKRB1 P46663 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL6050008 1.00 ADORA1 (0.41) ADORA1KDM4EMAPTGRM6MEN1
SCHEMBL5837710 0.88 ADORA1 (0.43) ADORA1KDM4EMAPTGRM6MEN1
SCHEMBL6049995 0.88 ADORA1 (0.43) ADORA1KDM4EMAPTGRM6MEN1
SCHEMBL5837906 0.84 ADORA1 (0.39) ADORA1KDM4ESMN1; SMN2
SCHEMBL5837084 0.82 NT5E (0.37) MEN1KMT2A
SCHEMBL6049867 0.82 NT5E (0.37) MEN1KMT2A
SCHEMBL6316671 0.82 GRM6 (0.36) ADORA1KDM4EMAPTGRM6MEN1
SCHEMBL5838565 0.82 ADORA1 (0.47) ADORA1KDM4EMAPTGRM6MEN1
SCHEMBL7480457 0.81 ADORA1 (0.41) ADORA1KDM4EMAPTALOX15TSHR
SCHEMBL5837548 0.79 ADORA1 (0.51) ADORA1KDM4EMAPTGRM6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed