SCHEMBL3433790

SCHEMBL3433790

O=C(c1cc(-c2ccccc2)cc(-c2ccc3nccnc3c2)c1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.61
MAPK1 P28482 3/20 0.57
SLC6A7 Q99884 4/20 0.51
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ERN1 O75460 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3435828 0.88 HPGD (0.70) HPGDMAPK1SLC6A7PDE4BPDE4D
SCHEMBL3429690 0.85 HPGD (0.61) HPGDPDE4BPDE4D
SCHEMBL3435145 0.81 HPGD (0.56) HPGDPDE4BPDE4DALDH1A1MEN1
SCHEMBL3433125 0.80 HPGD (0.55) HPGDPDE4BPDE4D
SCHEMBL3391582 0.79 HPGD (0.54) HPGDSLC6A7PDE4BPDE4DMEN1
SCHEMBL4527873 0.78 HPGD (0.97) HPGDALDH1A1POLB
SCHEMBL24686234 0.78 TGFBR1 (0.50) ALDH1A1NPC1RAB9APOLBL3MBTL1
Cx516 SCHEMBL31660971 0.77 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Cx516 SCHEMBL194605 0.77 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
SCHEMBL4525058 0.77 HPGD (1.00) HPGDALDH1A1SMN1; SMN2

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-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed