SCHEMBL1667320

SCHEMBL1667320

O=C(NC1CC1)c1ccc2c(ccn2-c2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
SMYD3 Q9H7B4 2/20 0.44
BRD4 O60885 3/20 0.43
SYK P43405 2/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
JAK2 O60674 2/20 0.40
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CHRNA7 P36544 1/20 0.39
TNIK Q9UKE5 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1666783 0.95 SMYD3 (0.46) HPGDSSMYD3BRD4SYKMAPT
SCHEMBL1667322 0.92 HPGDS (0.48) HPGDSSMYD3MAPTRAB9ATNIK
SCHEMBL1666784 0.89 SMYD3 (0.46) HPGDSSMYD3BRD4MAPTRAB9A
SCHEMBL1664403 0.84 BRD4 (0.57) HPGDSSMYD3BRD4RAB9AJAK2
SCHEMBL27936943 0.83 TNIK (0.49) SYKMAPTRAB9AJAK2TNIK
SCHEMBL1666855 0.83 BRD4 (0.47) HPGDSSMYD3BRD4MAPTRAB9A
SCHEMBL1666853 0.83 BRD4 (0.45) HPGDSSMYD3BRD4SYKMAPT
SCHEMBL1664646 0.83 MAOB (0.48) HPGDSMAPTRAB9ACHRNA7TNIK
SCHEMBL1665019 0.82 TNIK (0.41) SMYD3BRD4SYKMAPTTNIK
SCHEMBL1663107 0.80 SMYD3 (0.55) SMYD3BRD4MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed