SCHEMBL4070958

SCHEMBL4070958

NNC(=O)c1ccc(C(=O)Nc2ccc(C(=O)NN)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.63
DEGS1 O15121 7/20 0.55
PTGS1 P23219 2/20 0.55
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.51
MPO P05164 1/20 0.50
CYP3A4 P08684 1/20 0.50
KDM5A P29375 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL25212859 0.88 HCAR3 (0.53) HCAR3DEGS1KDM4ERAB9ATP53
SCHEMBL217496 0.85 NNMT (0.49) HCAR3KDM4EALDH1A1LMNAMAPT
SCHEMBL26227296 0.79 HDAC1 (0.51) HCAR3DEGS1MAPT
SCHEMBL30552385 0.79 HDAC1 (0.51) HCAR3DEGS1MAPT
SCHEMBL22242773 0.79 PTGS1 (0.77) HCAR3DEGS1PTGS1KDM4ERAB9A
SCHEMBL11308749 0.78 HCAR3 (0.77) HCAR3DEGS1KDM4ERAB9ASMN1; SMN2
SCHEMBL2664544 0.77 HCAR3 (1.00) HCAR3DEGS1KDM4ERAB9ASMN1; SMN2
SCHEMBL22444727 0.77 P4HTM (0.57) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL28102450 0.76 HCAR3 (0.72) HCAR3DEGS1KDM4ERAB9ASMN1; SMN2
SCHEMBL8483127 0.76 HDAC1 (0.72) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT

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
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed