SCHEMBL28489706

SCHEMBL28489706

Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)=CN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOST Q9BQB4 1/20 0.64
▸ TYMS P04818 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ AKR1B1 P15121 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ DHFR P00374 3/20 0.61
▸ MTHFD1 P11586 2/20 0.58
▸ MTHFD2 P13995 1/20 0.58
▸ ATIC P31939 4/20 0.58
▸ GART P22102 7/20 0.57
▸ FPGS Q05932 1/20 0.57

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
SCHEMBL2166341 0.81 MTHFD1 (0.63) SOSTTYMSKDM4EMEN1ALDH1A1
SCHEMBL17097094 0.81 MTHFD1 (0.63) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL12136386 0.79 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL27589172 0.79 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL8282 0.79 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
Dihydrofolic Acid SCHEMBL8281 0.79 SOST (0.61) SOSTTYMSKDM4EMEN1ALDH1A1
SCHEMBL1537882 0.78 SOST (0.65) SOSTTYMSKDM4EMEN1ALDH1A1
SCHEMBL9413322 0.78 SOST (0.65) SOSTTYMSKDM4EMEN1ALDH1A1
Tetrahydrofolate SCHEMBL2691812 0.78 SOST (1.00) SOSTDHFRMTHFD1MTHFD2ATIC
Tetrahydrofolate SCHEMBL8030 0.78 SOST (1.00) SOSTDHFRMTHFD1MTHFD2ATIC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989138-A Humanized anti-Prostate Specific Membrane Antigen (PSMA) antibody drug conjugates AMBRX公司 2020-11-24 — — CN disclosed
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