SCHEMBL11180508

SCHEMBL11180508

CN(C(=O)c1ccc(N)cc1)[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.40
FOLR1 P15328 1/20 0.38
SLC46A1 Q96NT5 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.37
USP5 P45974 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34

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
SCHEMBL11180502 1.00 FOLH1 (0.40) FOLH1FOLR1SLC46A1KDM4EMAPT
SCHEMBL28129663 0.86 FOLH1 (0.47) FOLH1KDM4EMAPTLMNACYP1A2
SCHEMBL28129661 0.86 FOLH1 (0.47) FOLH1KDM4EMAPTLMNACYP1A2
SCHEMBL28907590 0.84 KDM4E (0.38) FOLH1FOLR1SLC46A1KDM4EMAPT
SCHEMBL6304327 0.83 LMNA (0.37) FOLR1SLC46A1KDM4EMAPTHIF1A
SCHEMBL15905074 0.82 FOLH1 (0.38) FOLH1FOLR1SLC46A1CA2CA1
SCHEMBL27805530 0.78 TRPM8 (0.44) FOLH1MAPTLMNACYP1A2HDAC6
Zinc Ion SCHEMBL11176430 0.77 FOLH1 (0.46) FOLH1PHLPP2LMNACYP1A2CYP3A4
Zinc Ion SCHEMBL11176433 0.77 FOLH1 (0.46) FOLH1PHLPP2LMNACYP1A2CYP3A4
SCHEMBL10656927 0.77 FOLH1 (0.46) FOLH1PHLPP2LMNACYP1A2CYP3A4

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
US-4374987-A FROM 2,4,5,6-TETRAMINOPYRIMIDINE SULFATE, 1,1,3-TRIBROMOACETONE AND A ZINC P-AMINOBENZOYLGLUTAMATE AMERICAN CYANAMID COMPANY (US) 1983-02-22 US disclosed