SCHEMBL7444875

SCHEMBL7444875

Clc1cccc(-c2cccc3cccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
SERPINE1 P05121 1/20 0.52
DHFR P00374 1/20 0.51
PDE4D Q08499 4/20 0.50
PDE4A P27815 3/20 0.50
PDE4C Q08493 3/20 0.50
MAPT P10636 2/20 0.50
CCR1 P32246 2/20 0.50
CCR8 P51685 2/20 0.50
PDE4B Q07343 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
MMP2 P08253 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL30563009 0.88 CCR1 (0.52) BRD4SERPINE1MAPTCCR1CCR8
SCHEMBL27191397 0.88 CCR1 (0.52) BRD4SERPINE1MAPTCCR1CCR8
SCHEMBL7440046 0.83 PDE4A (0.54) DHFRPDE4DPDE4APDE4CCCR1
SCHEMBL16581166 0.82 MMP2 (0.54) BRD4SERPINE1MAPTCCR1CCR8
SCHEMBL31617682 0.82 MAP4K4 (0.52) PDE4DPDE4APDE4CMAPTCCR1
SCHEMBL17334526 0.81 CCR1 (0.62) BRD4MAPTCCR1CCR8KDM4E
SCHEMBL19036144 0.81 BRD4 (0.45) BRD4SERPINE1PDE4DPDE4APDE4C
SCHEMBL31617744 0.80 MAP4K4 (0.50) BRD4PDE4DPDE4APDE4CMAPT
SCHEMBL4148271 0.80 MMP2 (0.60) BRD4PDE4AMAPTCCR1CCR8
SCHEMBL7450702 0.79 PDE4A (0.60) DHFRPDE4DPDE4APDE4CMAPT

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-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed