SCHEMBL28205287

SCHEMBL28205287

CC(CC(NC(=O)C1C=CC(NCc2cnc3nc(N)[nH]c(=O)c3n2)CC1)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 11/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TYMS P04818 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.41
▸ NOS1 P29475 4/20 0.41

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
SCHEMBL27529220 0.90 AKR1B1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL27925895 0.89 AKR1B1 (0.46) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL27812907 0.88 TYMS (0.62) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL30447066 0.87 AKR1B1 (0.53) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL30584152 0.87 AKR1B1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL27925894 0.87 AKR1B1 (0.47) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL27519163 0.83 AKR1B1 (0.51) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL30350193 0.83 AKR1B1 (0.51) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL27983477 0.78 AKR1B1 (0.49) AKR1B1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL30185625 0.77 AKR1B1 (0.77) AKR1B1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109498771-A A kind of target composition and preparation method thereof improving mild cognition impairment 江西恒康药业有限公司 2019-03-22 — — CN disclosed
CN-107812195-A The stabilizing pharmaceutical composition of (6S) 5 methyl tetrahydrofolate calcium salt 连云港金康和信药业有限公司 2018-03-20 — — CN disclosed
CN-107090424-A Utilize the method and organism of synthesis gas or other gaseous carbon sources and methanol 基因组股份公司 2017-08-25 — — CN disclosed
CN-101978042-B Methods and organisms for utilizing syngas or other gaseous carbon sources and methanol 基因组股份公司 2017-03-08 — — CN disclosed
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