SCHEMBL6337591

SCHEMBL6337591

CC1=C(C(=O)NCCc2ccncc2)C(c2cccc(Cl)c2)N(CC(=O)O)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.41
CACNA1B Q00975 2/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPT P10636 2/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
PTGS2 P35354 1/20 0.37

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
Pyridine SCHEMBL6337593 0.86 MEN1 (0.41) MEN1KMT2ACACNA1BADRA1DADRA1A
SCHEMBL6340776 0.83 CACNA1F (0.53) MEN1KMT2AMAPK1CACNA1BADRA1D
SCHEMBL7512719 0.83 MAPK1 (0.40) MEN1KMT2AMAPK1CACNA1BADRA1D
SCHEMBL6339432 0.82 CACNA1B (0.47) MEN1KMT2ACACNA1BADRA1DADRA1A
SCHEMBL6340733 0.80 ADRA1D (0.51) MAPK1CACNA1BADRA1DADRA1AADRA1B
SCHEMBL6337715 0.78 CACNA1B (0.67) MEN1KMT2ACACNA1BADRA1DADRA1A
SCHEMBL6337712 0.78 CACNA1B (0.67) MEN1KMT2ACACNA1BADRA1DADRA1A
SCHEMBL6338019 0.75 ADRA1D (0.55) CACNA1BADRA1DADRA1AADRA1BCACNA1F
SCHEMBL28744261 0.75 CACNA1B (0.59) CACNA1BADRA1DADRA1AADRA1B
SCHEMBL7659273 0.71 CACNA1B (0.68) MEN1KMT2ACACNA1BRAB9ANPC1

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-6855716-B2 Dihydropyrimidine compounds and compositions containing the same AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1193259-A1 DIHYDROPYRIMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-04-03 EP disclosed