SCHEMBL7764565

SCHEMBL7764565

Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CC[C]=O)C(=O)O)cc3)nc2c(=O)[nH]1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.81
▸ AKR1B1 P15121 3/20 0.81
▸ KDM4E B2RXH2 1/20 0.81
▸ MEN1 O00255 1/20 0.81
▸ ALDH1A1 P00352 1/20 0.81
▸ POLB P06746 1/20 0.81
▸ GAA P10253 1/20 0.81
▸ HPGD P15428 1/20 0.81
▸ TSHR P16473 1/20 0.81
▸ PTGS2 P35354 1/20 0.81
▸ KMT2A Q03164 1/20 0.81
▸ HSD17B10 Q99714 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ ADORA3 P0DMS8 1/20 0.59
▸ DHFR P00374 6/20 0.55
▸ GART P22102 2/20 0.55
▸ ATIC P31939 2/20 0.55

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
SCHEMBL30097384 0.93 TYMS (0.80) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL21664561 0.91 TYMS (0.85) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL3877 0.90 TYMS (1.00) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13575164 0.90 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL13011046 0.90 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
SCHEMBL23876293 0.90 TYMS (0.84) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL403054 0.90 TYMS (1.00) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL248712 0.90 TYMS (1.00) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL332170 0.90 TYMS (1.00) TYMSAKR1B1KDM4EMEN1ALDH1A1
Folic Acid SCHEMBL16492117 0.90 TYMS (1.00) TYMSAKR1B1KDM4EMEN1ALDH1A1

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
EP-1100964-A1 GENE SEQUENCE VARIANCES WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE Variagenics, Inc. (US) 2001-05-23 — — EP disclosed
WO-2000004194-A1 GENE SEQUENCE VARIANCES WITH UTILITY IN DETERMINING THE TREATMENT OF DISEASE VARIAGENICS, INC. (US) 2000-01-27 — — WO disclosed
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