SCHEMBL3435828

SCHEMBL3435828

O=C(c1cccc(-c2ccc3nccnc3c2)c1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 15/20 0.70
ERN1 O75460 2/20 0.58
POLB P06746 1/20 0.55
SLC6A7 Q99884 1/20 0.54
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.53
PDE4B Q07343 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL3433790 0.88 HPGD (0.61) HPGDERN1POLBSLC6A7MEN1
SCHEMBL4527873 0.84 HPGD (0.97) HPGDPOLBALDH1A1
SCHEMBL3429690 0.83 HPGD (0.61) HPGDPDE4BPDE4D
SCHEMBL4532102 0.83 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4560090 0.83 HPGD (0.94) HPGDPOLBALDH1A1
SCHEMBL4525058 0.83 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Cx516 SCHEMBL194605 0.83 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Cx516 SCHEMBL31660971 0.83 HPGD (1.00) HPGDALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4520505 0.81 HPGD (0.97) HPGDALDH1A1SMN1; SMN2
SCHEMBL1442309 0.81 HPGD (0.59) HPGDERN1

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