SCHEMBL7579939

SCHEMBL7579939

F[B-](F)(F)F.c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[o+]c2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP2A6 P11509 2/20 0.34
HPGD P15428 2/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2B6 P20813 1/20 0.34
PTPN1 P18031 1/20 0.33
BCAT2 O15382 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
PBRM1 Q86U86 1/20 0.32
ESR2 Q92731 1/20 0.32
NOTUM Q6P988 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7508793 0.81 KDM4E (0.35) BACE1ALDH1A1CYP2A6HPGDMAPK1
SCHEMBL11236678 0.72 KDM4E (0.38) BACE1ALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL4082425 0.71 BACE1 (0.61) BACE1ALOX5ALDH1A1HSD17B10CYP2A6
Biphenyl SCHEMBL1881607 0.68 ALDH1A1 (0.75) ALDH1A1HSD17B10CYP2A6BCL2L1MAPK1
Biphenyl SCHEMBL17388552 0.68 ALDH1A1 (0.75) ALDH1A1HSD17B10CYP2A6BCL2L1MAPK1
SCHEMBL30612486 0.67 ALDH1A1 (0.38) BACE1ALOX5ALDH1A1MAPK1PTPN1
SCHEMBL6825018 0.66 ALDH1A1 (0.60) BACE1ALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL16890083 0.65 BACE1 (0.48) BACE1ALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL7933978 0.65 ALDH1A1 (0.43) ALOX5ALDH1A1HSD17B10BCL2L1MAPK1
SCHEMBL345864 0.65 ALDH1A1 (0.43) ALOX5ALDH1A1HSD17B10BCL2L1MAPK1

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-1036796-B1 Method for producing phosphabenzene compounds BASF AG (DE) 2002-09-25 EP disclosed
US-6252117-B1 NONCATALYTIC REACTION OF PYRILLIUM SALT WITH PHOSPHINE SUPPLIED DURING THE REACTION TO MAINTAIN A UNIFORM PHOSPHINE PARTIAL PRESSURE BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
EP-1036796-A1 Method for producing phosphabenzene compounds BASF AKTIENGESELLSCHAFT (DE) 2000-09-20 EP disclosed