SCHEMBL1664593

SCHEMBL1664593

COc1cc(Nc2ccc(C(=O)c3ccc(NC(=O)c4cccn4C)cc3)cc2)ccc1N1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.45
IMPDH2 P12268 1/20 0.43
EML4 Q9HC35 2/20 0.41
ALK Q9UM73 2/20 0.41
FGFR3 P22607 1/20 0.41
GPX4 P36969 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL1664384 0.95 HPGDS (0.48) HPGDSIMPDH2EML4ALKFGFR3
SCHEMBL1664596 0.93 HPGDS (0.46) HPGDSIMPDH2MEN1KMT2AMAPT
SCHEMBL1664387 0.93 KMT2A (0.47) HPGDSIMPDH2MEN1KMT2AMAPT
SCHEMBL1665157 0.88 HPGDS (0.46) HPGDSMEN1KMT2AMAPTNPY2R
SCHEMBL1664479 0.85 CYP2C9 (0.45) HPGDSEML4ALKMAPTNPY2R
SCHEMBL1664351 0.84 HPGDS (0.62) HPGDSMEN1KMT2AMAPTLMNA
SCHEMBL1664653 0.83 HPGDS (0.51) HPGDSEML4ALKKMT2ARAB9A
SCHEMBL1663209 0.83 HPGDS (0.51) HPGDSMEN1KMT2AMAPTLMNA
SCHEMBL1664657 0.83 HPGDS (0.51) HPGDSMEN1KMT2AMAPTLMNA
SCHEMBL1664464 0.82 HPGDS (0.50) HPGDSMEN1KMT2AMAPTNPY2R

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed