SCHEMBL7260223

SCHEMBL7260223

O=C1C=C(N2CCCCC2)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 4/20 1.00
NSD2 O96028 3/20 1.00
HKDC1 Q2TB90 3/20 1.00
TDP2 O95551 2/20 1.00
DNMT1 P26358 1/20 0.83
NPC1 O15118 4/20 0.71
RAB9A P51151 3/20 0.71
MEN1 O00255 1/20 0.71
GALK1 P51570 1/20 0.71
BLM P54132 1/20 0.71
KMT2A Q03164 1/20 0.71
ATM Q13315 1/20 0.71
NOD2 Q9HC29 1/20 0.71
ATG4B Q9Y4P1 1/20 0.71
MAPT P10636 5/20 0.47
ALDH1A1 P00352 5/20 0.47
PTPN1 P18031 4/20 0.47
PTPRC P08575 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 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
SCHEMBL31290115 0.87 APAF1 (0.77) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL249168 0.87 APAF1 (0.77) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL31290245 0.85 APAF1 (0.74) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL4876610 0.85 APAF1 (0.74) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL30601628 0.83 APAF1 (1.00) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL4649553 0.83 DNMT1 (0.83) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL10037145 0.83 DNMT1 (0.77) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL4647391 0.83 APAF1 (1.00) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL29203715 0.76 APAF1 (0.62) APAF1NSD2HKDC1TDP2DNMT1
SCHEMBL1242685 0.75 MAPT (0.67) APAF1NSD2HKDC1TDP2DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994879-B1 PHOTOCHROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN POLYMERIC MATERIALS GREAT LAKES CHEMICAL EUROP (CH) 2003-09-24 EP disclosed
US-6414057-B1 STRESS RESISTANCE, DYEABLE GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 2002-07-02 US disclosed
US-5905148-A Photochromic spirooxazine polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1999-05-18 US disclosed
EP-0245020-B1 PHOTOCHROMIC ARTICLES PILKINGTON PLC (GB) 1991-10-02 EP disclosed
US-4913544-A WINDOWS, OPTICAL GLASS PILKINGTON PLC (GB) 1990-04-03 US disclosed
EP-0245020-A2 Photochromic articles PILKINGTON PLC (GB) 1987-11-11 EP disclosed