SCHEMBL4448748

SCHEMBL4448748

O=C1c2ccc3ccccc3c2C(=O)N1CCCCl

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HEXA P06865 2/20 0.40
HEXB P07686 2/20 0.40
CYP1B1 Q16678 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4187946 0.85 KDM4E (0.51) DNMT1RAB9ASMN1; SMN2HEXAHEXB
SCHEMBL10795639 0.84 DNMT1 (0.46) DNMT1MAPTRAB9ASMN1; SMN2CYP1B1
SCHEMBL11500864 0.84 ALDH1A1 (0.48) MAPTTDP1L3MBTL1
SCHEMBL10396735 0.82 BCHE (0.44) DNMT1MAPTRAB9ASMN1; SMN2HEXA
SCHEMBL4997819 0.82 HEXA (0.55) DNMT1MAPTRAB9ASMN1; SMN2HEXA
SCHEMBL2641523 0.82 POLB (0.60) MAPTSMN1; SMN2HEXAHEXB
SCHEMBL5953603 0.80 SIRT1 (0.59) HEXAHEXB
SCHEMBL12235635 0.78 CYP1B1 (0.53) DNMT1MAPTRAB9ASMN1; SMN2CYP1B1
SCHEMBL9327695 0.78 DNMT1 (0.46) DNMT1MAPTRAB9ASMN1; SMN2CYP1B1
SCHEMBL11877346 0.78 DNMT1 (0.46) DNMT1MAPTRAB9ASMN1; SMN2HEXA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118065-B1 Substituted 1H-benz[de]isoquinoline-1,3-diones COUNCIL SCIENT IND RES (IN) 2013-08-14 EP disclosed
EP-2118065-A1 NOVEL SUBSTITUTED 1H-BENZ ÝDE¨ISOQUINOLINE-1, 3 -DIONES Council of Scientific & Industrial Research (IN) 2009-11-18 EP disclosed
WO-2008084496-A1 NOVEL SUBSTITUTED 1H-BENZ [DE] ISOQUINOLINE-1, 3 -DIONES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2008-07-17 WO disclosed