SCHEMBL8966043

SCHEMBL8966043

Nc1ccc(OCc2cccs2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
TSHR P16473 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MGMT P16455 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
HTT P42858 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL9424818 0.86 TAAR1 (0.41) BCAT2TSHRTAAR1MGMTGABRA1
SCHEMBL8507856 0.75 F9 (0.40) TAAR1MGMTSLC1A3SLC1A2SLC1A1
SCHEMBL933699 0.73 BCAT2 (0.55) BCAT2HTTL3MBTL1SMN1; SMN2LTA4H
SCHEMBL9157299 0.72 GAA (0.54) BCAT2TSHRMGMTGABRA1GABRG2
SCHEMBL7530934 0.71 CYP2D6 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5585467 0.71 HDAC1 (0.39) TSHRTAAR1GABRA1GABRG2GABRB3
SCHEMBL1927333 0.71 GABRA5 (0.45) TSHRGABRA5HTTL3MBTL1HPGD
SCHEMBL7890449 0.69 MAOB (0.52) TSHRTAAR1F9F10L3MBTL1
SCHEMBL8965572 0.69 SYK (0.47) BCAT2MGMTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL2996516 0.69 HPGD (0.37) SLC1A3SLC1A2SLC1A1L3MBTL1HPGD

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
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
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