SCHEMBL4447794

SCHEMBL4447794

COc1ccc(C(=O)c2ccc(-c3ccccc3Br)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
RAB9A P51151 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 2/20 0.51
HDAC8 Q9BY41 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC2 Q92769 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL30545203 0.87 ABL1 (0.60) LMNAMAPTMAPK1RAB9AALDH1A1
SCHEMBL7445927 0.87 ABL1 (0.60) LMNAMAPTMAPK1RAB9AALDH1A1
SCHEMBL30545205 0.87 ABL1 (0.60) LMNAMAPTMAPK1RAB9AALDH1A1
SCHEMBL29092458 0.83 ALDH1A1 (0.59) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL7824388 0.81 SMN1; SMN2 (0.64) RXFP1KMT2AMAPTMAPK1RAB9A
SCHEMBL4447795 0.81 KMT2A (0.64) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL2998614 0.80 CES2 (0.69) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL18545953 0.80 CES2 (0.69) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL21246920 0.79 RXFP1 (0.70) RXFP1KMT2AMEN1LMNAMAPT
SCHEMBL11575471 0.79 KMT2A (0.66) RXFP1KMT2AMEN1LMNAMAPT

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
US-20090072206-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. 2009-03-19 US disclosed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP disclosed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US disclosed