SCHEMBL14175673

SCHEMBL14175673

Nc1cn(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.57
KMT2A Q03164 9/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MAPT P10636 7/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 4/20 0.55
NPC1 O15118 3/20 0.55
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL14176080 0.87 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL12677238 0.87 MEN1 (0.58) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL17619493 0.84 ALDH1A1 (0.71) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL12677409 0.84 MEN1 (0.72) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL14176067 0.83 LMNA (0.65) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL14176070 0.82 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL14176066 0.82 MAP4K4 (0.48) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL19659932 0.82 KDM4E (0.60) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL19652416 0.80 PTGS2 (0.76) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL14176079 0.80 ALDH1A1 (0.57) MEN1KMT2ASMN1; SMN2MAPTRAB9A

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
EP-1932833-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 EP disclosed