SCHEMBL7784632

SCHEMBL7784632

CCCCCC[B-](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.COc1ccc(-c2ccccc2[IH+])cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
GLA P06280 1/20 0.36
ALDH1A3 P47895 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MGLL Q99685 5/20 0.33
TP53 P04637 1/20 0.33
BACE1 P56817 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LTB4R2 Q9NPC1 1/20 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
SCHEMBL7777799 0.79 LTB4R2 (0.40) ABL1ABCB1BCRCNR1CNR2
SCHEMBL1130972 0.78 GLA (0.36) AURKAAURKBGLASLC6A4SLC6A3
SCHEMBL1130224 0.78 TDP1 (0.38) AURKAAURKBGLACNR1CNR2
SCHEMBL306975 0.78 CNR1 (0.41) CNR1CNR2MGLL
SCHEMBL307357 0.78 CNR1 (0.41) CNR1CNR2MGLL
SCHEMBL21102044 0.78 CNR1 (0.41) CNR1CNR2MGLL
SCHEMBL7784626 0.75 MAPT (0.37) ABL1ABCB1BCRTP53BACE1
Biphenyl SCHEMBL7784630 0.75 CYP1A2 (0.44) MGLL
SCHEMBL7101584 0.75 CA12 (0.41) CNR1CNR2MGLLHDAC2
SCHEMBL6716885 0.74 SMN1; SMN2 (0.42) HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880075-B1 Radiation sensitive resin composition JSR CORP (JP) 2001-10-17 EP disclosed
US-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 US disclosed
EP-0880075-A1 Radiation sensitive resin composition JSR Corporation (JP) 1998-11-25 EP disclosed