SCHEMBL27633733

SCHEMBL27633733

COc1cc2cnoc2c(OC)c1[Ti]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 6/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
BRD4 O60885 1/20 0.35
MAOA P21397 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CHEK1 O14757 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL5573064 0.74 KDM4E (0.61) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL10580705 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL27614833 0.67 MAPT (0.35) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL27633730 0.63 KDM4E (0.33) ALDH1A1KDM4EHPGD
SCHEMBL27614881 0.60 MAPT (0.35) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL10403923 0.57
SCHEMBL11524703 0.56 CHEK1 (0.36) ALDH1A1KDM4EHPGDBRD4CHEK1
SCHEMBL4065234 0.56 CHEK1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL9549005 0.56 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTMAOAPDGFRB
SCHEMBL11496731 0.56 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1727353-A Titanium metallocene photoinitiator with parallel structure, synthetic catalyst and photosensitive composition HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN claimed
CN-1727353-A Titanium metallocene photoinitiator with parallel structure, synthetic catalyst and photosensitive composition HUATAI CHEMICAL CO LTD CHANGZH (CN) 2006-02-01 CN disclosed