SCHEMBL8965944

SCHEMBL8965944

CCOc1c(OC)cc(CO)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.62
HTR2C P28335 2/20 0.62
HTR2B P41595 2/20 0.62
HSD17B10 Q99714 2/20 0.51
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
PTGS2 P35354 1/20 0.50
BPTF Q12830 1/20 0.45
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CALM1 P0DP23 1/20 0.41

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
SCHEMBL13144363 0.88 TSHR (0.53) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL3574673 0.84 PTGS2 (0.50) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL18071824 0.83 PTGS2 (0.72) HTR2AHTR2CHTR2BPTGS2BPTF
SCHEMBL19632491 0.83 ALOX15 (0.48) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL1122521 0.83 PTGS2 (0.64) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL2744248 0.82 TSHR (0.50) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL9124419 0.80 S1PR2 (0.48)
SCHEMBL25460918 0.80 HTR2A (0.62) HTR2AHTR2CHTR2BPTGS2BPTF
SCHEMBL3364601 0.80 TUBB4A (0.54) HTR2AHTR2CHTR2BHSD17B10TSHR
SCHEMBL25460925 0.78 HTR2A (0.61) HTR2AHTR2CHTR2BPTGS2BPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538970-A Treatment of cancer with imidazo-1,2-pyridazin compounds GLAXO WELLCOME INC. (US) 1996-07-23 US disclosed
US-5447956-A Anticarcinogenic agents BURROUGHS WELLCOME CO. (US) 1995-09-05 US disclosed
US-5380759-A Methyl N-[6-(3,4,5-trimethoxybenzloxy)imidazo[1,2-b]pyridazin-2-zyl]carbamate used to treat leukemia BURROUGHS WELLCOME CO. (US) 1995-01-10 US disclosed
US-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 US disclosed
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 EP disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 US disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 EP disclosed