SCHEMBL6248335

SCHEMBL6248335

CCCCS(=O)(=O)NN1CC=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
AR P10275 1/20 0.36
PARP14 Q460N5 1/20 0.33
BRD4 O60885 3/20 0.33
P2RX4 Q99571 3/20 0.33
P2RX1 P51575 2/20 0.33
P2RX3 P56373 2/20 0.33
PGAM1 P18669 1/20 0.32
AURKA O14965 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL32679965 0.76 CYP4Z1 (0.36) P2RX4P2RX1P2RX3GAANR1H2
SCHEMBL23043877 0.75 CYP4Z1 (0.37) P2RX4P2RX1P2RX3KDM4ENR1H2
SCHEMBL1723366 0.72 P2RX4 (0.35) P2RX4P2RX1P2RX3ALDH1A1MAPT
SCHEMBL3966811 0.70 MEN1 (0.33) P2RX4P2RX1P2RX3ALDH1A1MAPT
SCHEMBL8472507 0.70 P2RX4 (0.37) P2RX4P2RX1P2RX3PTBP1SMN1; SMN2
SCHEMBL4240875 0.69 CA2 (0.36) NR1H2NR1H3SMN1; SMN2
Sulfuric Acid SCHEMBL27824625 0.68 CDC25A (0.41) P2RX4P2RX1P2RX3ALDH1A1KDM4E
Sulfuric Acid SCHEMBL27824624 0.68 CDC25A (0.41) P2RX4P2RX1P2RX3ALDH1A1KDM4E
SCHEMBL6248333 0.68 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3975056 0.68 CES1 (0.36) ALDH1A1MAPTKDM4EGAANR1H2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590348-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-11-02 EP disclosed
WO-2004058759-A1 ARYL / HETARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-15 WO disclosed