SCHEMBL6364121

SCHEMBL6364121

COc1ccc2c(C)nn(CC(C)(N)OC(=O)/C=C/C(=O)OC(C)(N)Cn3nc(C)c4ccc(OC)cc43)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.39
DYRK1A Q13627 12/20 0.38
ESR1 P03372 1/20 0.37
KMO O15229 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7994539 0.79 ALDH1A1 (0.38) SLC22A12DYRK1AESR1ALDH1A1KMT2A
SCHEMBL7011042 0.75 DYRK1A (0.41) SLC22A12DYRK1AKMOHTR2AHTR2C
SCHEMBL7777139 0.75 SLC22A12 (0.39) SLC22A12DYRK1AKMOHTR2AHTR2C
SCHEMBL14487582 0.74 SLC22A12 (0.52) SLC22A12DYRK1AKMOKMT2A
SCHEMBL6361835 0.74 SLC22A12 (0.46) SLC22A12DYRK1AKMOALDH1A1KMT2A
Fumaric Acid SCHEMBL6364117 0.72 HTR2C (0.48) SLC22A12DYRK1AKMOHTR2AHTR2C
Fumaric Acid SCHEMBL6364123 0.72 HTR2C (0.48) SLC22A12DYRK1AKMOHTR2AHTR2C
Fumaric Acid SCHEMBL5678095 0.72 HTR2C (0.48) SLC22A12DYRK1AKMOHTR2AHTR2C
Fumaric Acid SCHEMBL5678109 0.72 HTR2C (0.48) SLC22A12DYRK1AKMOHTR2AHTR2C
Fumaric Acid SCHEMBL5678103 0.72 DYRK1A (0.49) SLC22A12DYRK1AKMOHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956036-B1 6-hydroxy-indazole derivatives for treating glaucoma ALCON, INC. (CH) 2005-10-18 US disclosed
EP-1268438-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon, Inc (CH) 2003-01-02 EP disclosed
WO-2001070702-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed