SCHEMBL5168930

SCHEMBL5168930

S=c1c2ccccc2oc2ccc(CN3CCOCC3)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
ATM Q13315 1/20 0.57
PARP1 P09874 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 3/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NCF1 P14598 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL5167565 0.83 HSD17B10 (0.54) NPC1RAB9AATMPARP1KMT2A
SCHEMBL28553893 0.78 PARP1 (0.47) NPC1RAB9AATMPARP1ALDH1A1
SCHEMBL21742928 0.75 KMT2A (0.58) NPC1RAB9AATMPARP1ALDH1A1
SCHEMBL248557 0.74 CYP1A2 (0.46) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL10806488 0.74 CYP1A2 (0.54) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL10801241 0.74 CYP1A2 (0.46) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11121157 0.73 CYP1A2 (0.45) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL7783535 0.72 CYP1A2 (0.51) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL11120439 0.70 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL11196105 0.69 NCF1 (0.83) NPC1RAB9APARP1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558402-B1 METHOD FOR PRODUCING UV ABSORPTION LAYERS ON SUBSTRATES CIBA SC HOLDING AG (CH) 2007-04-18 EP disclosed
EP-1135219-B1 METHOD FOR PRODUCING ADHESIVE SURFACE COATINGS CIBA SC HOLDING AG (CH) 2004-01-28 EP disclosed
EP-0425440-B1 Method of adjusting the photosensitivity of photopolymerizable compositions CIBA GEIGY AG (CH) 1994-11-17 EP disclosed
EP-0287516-B1 PHOTOPOLYMERIZABLE ADHESIVES CIBA-GEIGY AG (CH) 1993-03-31 EP disclosed
EP-0425440-A1 Method of adjusting the photosensitivity of photopolymerizable compositions CIBA-GEIGY AG (CH) 1991-05-02 EP disclosed