SCHEMBL4447795

SCHEMBL4447795

COc1ccc(C(=O)c2ccccc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
MAPT P10636 2/20 0.64
MAPK1 P28482 2/20 0.64
RAB9A P51151 2/20 0.64
RXFP1 Q9HBX9 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
SLC6A3 Q01959 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.51
CYP2C8 P10632 1/20 0.50
AKR1C3 P42330 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TUBB4A P04350 1/20 0.47

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
SCHEMBL7824388 0.93 SMN1; SMN2 (0.64) KMT2ANPSR1MAPTMAPK1RAB9A
SCHEMBL8338154 0.88 SMN1; SMN2 (0.71) KMT2ANPSR1MAPTMAPK1RAB9A
SCHEMBL13356437 0.88 SMN1; SMN2 (0.62) KMT2AMAPK1LMNASLC6A3SMN1; SMN2
SCHEMBL28045612 0.88 AKR1C3 (0.62) KMT2AMAPTMAPK1RAB9AMEN1
SCHEMBL7101319 0.86 MAPT (0.64) KMT2ANPSR1MAPTMAPK1RAB9A
SCHEMBL9851196 0.85 KMT2A (0.70) KMT2ANPSR1MAPTMAPK1RAB9A
SCHEMBL30045516 0.85 GAA (0.60) KMT2ALMNASLC6A3SMN1; SMN2ALDH1A1
SCHEMBL29011848 0.85 GAA (0.60) KMT2ALMNASLC6A3SMN1; SMN2ALDH1A1
SCHEMBL27704684 0.83 ALDH1A1 (0.59) KMT2ANPSR1MAPTMAPK1RAB9A
SCHEMBL27761886 0.83 AKR1C3 (0.61) KMT2AMAPTMEN1LMNASLC6A3

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