SCHEMBL7365437

SCHEMBL7365437

CCCn1nc(-c2cccc(Br)c2)c2cccnc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
TBXAS1 P24557 1/20 0.40
AKR1B1 P15121 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ESR1 P03372 2/20 0.37
MAPT P10636 2/20 0.37
TGFBR1 P36897 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7364120 0.91 TBXAS1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370212 0.86 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366044 0.84 TP53 (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369583 0.83 ALDH1A1 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365928 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7360966 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370600 0.81 MEN1 (0.51) MEN1KMT2AESR1MAPTRAB9A
SCHEMBL7364396 0.81 ALDH1A1 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365433 0.79 ADORA1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7370605 0.78 KDM4E (0.48) MEN1KMT2AESR1MAPTALDH1A1

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-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed