SCHEMBL3435145

SCHEMBL3435145

O=C(c1cc(-c2ccc3nccnc3c2)cc([N+](=O)[O-])c1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.56
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPT P10636 2/20 0.43
ECE2 P0DPD6 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 2/20 0.41

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 0.81 HPGD (0.61) HPGDL3MBTL1POLBMEN1KMT2A
SCHEMBL3429690 0.81 HPGD (0.61) HPGDPDE4BPDE4DECE2KDM4E
SCHEMBL3435828 0.79 HPGD (0.70) HPGDPOLBMEN1KMT2APDE4B
SCHEMBL13539432 0.77 L3MBTL1 (0.73) HPGDRXFP1L3MBTL1POLBMEN1
SCHEMBL3433125 0.76 HPGD (0.55) HPGDPDE4BPDE4DECE2
SCHEMBL27182236 0.76 L3MBTL1 (0.71) HPGDRXFP1L3MBTL1POLBMEN1
SCHEMBL3391582 0.76 HPGD (0.54) HPGDPOLBMEN1KMT2APDE4B
SCHEMBL4527873 0.74 HPGD (0.97) HPGDPOLBECE2ALDH1A1
Cx516 SCHEMBL194605 0.73 HPGD (1.00) HPGDECE2ALDH1A1SMN1; SMN2
Cx516 SCHEMBL31660971 0.73 HPGD (1.00) HPGDECE2ALDH1A1SMN1; 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