SCHEMBL4960845

SCHEMBL4960845

CCCCC(c1cccc(Br)c1)C(OB(O)O)(c1cccc(Br)c1)c1cccc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL7667921 0.90 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C19IDO1TDO2
SCHEMBL4959261 0.88 IDO1 (0.33) MEN1KMT2ANPSR1CYP1A2CYP2D6
SCHEMBL4640598 0.83 SCN5A (0.39) KMT2A
SCHEMBL4606555 0.83 SLC7A5 (0.34) IDO1TDO2
SCHEMBL8018579 0.82 MTNR1A (0.38) ALOX5PPARGPPARACTSK
SCHEMBL810138 0.81 CTSK (0.38) MEN1KMT2ACTSLCTSBCTSH
Tetrabuthylammonium SCHEMBL20508670 0.78 EDNRB (0.31)
SCHEMBL8016478 0.77 MEN1 (0.38) MEN1KMT2ACTSLCTSBCTSH
SCHEMBL8023308 0.76 MEN1 (0.39) MEN1KMT2A
Tetrabuthylammonium SCHEMBL19096924 0.75 CTSK (0.36) MEN1KMT2ACTSLCTSBCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032576-B1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SC HOLDING AG (CH) 2008-01-16 EP disclosed
US-6489374-B1 ORGANONITROGEN COMPOUNDS THAT YIELD AMINES, IMINES OR AMIDINES WHEN EXPOSED TO VISIBLE OR ULTRAVIOLET RADIATION; POLYMERIZATION CATALYSTS USED IN ONE-POT SYSTEMS HAVING STORAGE STABILITY CIBA SPECIALTY CHEMICALS CORPORATION 2002-12-03 US disclosed
EP-1032576-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON $g(a)-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES Ciba SC Holding AG (CH) 2000-09-06 EP disclosed
WO-1998038195-A1 PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON α-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-09-03 WO disclosed