SCHEMBL26045339

SCHEMBL26045339

CN1C(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)=CNc2[nH]c(N)nc(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ DHFR P00374 6/20 0.54
▸ MTHFD1 P11586 2/20 0.53
▸ MTHFD2 P13995 1/20 0.51
▸ ATIC P31939 5/20 0.50
▸ GART P22102 3/20 0.50
▸ SOST Q9BQB4 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL17097094 0.89 MTHFD1 (0.63) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL2166341 0.89 MTHFD1 (0.63) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL16085830 0.82 MTHFD1 (0.55) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL16490221 0.77 MTHFD1 (0.68) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL16466806 0.77 MTHFD1 (0.68) TYMSKDM4EMEN1ALDH1A1POLB
SCHEMBL26045345 0.77 MTHFD1 (0.55) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL79586 0.77 MTHFD1 (0.68) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL20440869 0.77 MTHFD1 (0.68) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL7953180 0.77 MTHFD1 (0.68) TYMSKDM4EMEN1ALDH1A1POLB
Levomefolic Acid SCHEMBL3442396 0.77 MTHFD1 (0.67) TYMSKDM4EMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272442-A1 5-METHYLFOLATE PRODUCING MICROORGANISM CHIFENG PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 — — US disclosed
US-20230272442-A1 5-METHYLFOLATE PRODUCING MICROORGANISM CHIFENG PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 — — US disclosed
Send feedback