SCHEMBL7850459

SCHEMBL7850459

O=C(O)C1CCCN(N2CCCCC2C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ACE P12821 5/20 0.35
REN P00797 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10905425 0.84 ACE (0.41) HSD17B10ACEREN
SCHEMBL16761709 0.82 L3MBTL1 (0.37) ALDH1A1ACE
SCHEMBL27718628 0.82 ACE (0.40) HSD17B10ACEREN
SCHEMBL4963186 0.82 ACE (0.40) HSD17B10ACEREN
SCHEMBL2902847 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7113056 0.75 ACE (0.46) HSD17B10ACEREN
SCHEMBL3360876 0.75 ACE (0.46) HSD17B10ACEREN
SCHEMBL6528047 0.72 ACE (0.33) HSD17B10ACEREN
SCHEMBL20456353 0.71 NOTUM (0.42) ALDH1A1POLBGAA
SCHEMBL4112477 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923287-A4 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES LILLY CO ELI (US) 2001-08-01 EP disclosed
EP-0923287-A1 NONCLASSICAL PYRROLO 2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1999-06-23 EP disclosed
WO-1998008382-A1 NONCLASSICAL PYRROLO[2,3-D]PYRIMIDINE ANTIFOLATES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed