SCHEMBL4078075

SCHEMBL4078075

COc1ccccc1-c1nn(CCN(C)S(=O)(=O)c2ccc(C)cc2)c(=O)c2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BRD9 Q9H8M2 3/20 0.37
▸ BRD7 Q9NPI1 3/20 0.37
▸ TAF1 P21675 2/20 0.37
▸ TGFBR1 P36897 2/20 0.37
▸ ACVR1 Q04771 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ CECR2 Q9BXF3 2/20 0.37
▸ TDP2 O95551 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ BRPF1 P55201 1/20 0.37
▸ BPTF Q12830 1/20 0.37
▸ TAF1L Q8IZX4 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ ATAD2B Q9ULI0 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL4085550 0.69 NPC1 (0.46) SMN1; SMN2MAPTTDP1KMT2AGAA
SCHEMBL29965637 0.65 ALDH1A1 (0.55) SMN1; SMN2TSHRKMT2AALDH1A1LMNA
SCHEMBL9303821 0.63 PRKCB (0.40) TDP1CYP2D6ALDH1A1
SCHEMBL30302189 0.63 MAPT (0.54) SMN1; SMN2MAPTTSHRKMT2AMEN1
SCHEMBL16658125 0.60 BRD4 (0.65) BRD9BRD7TAF1TGFBR1ACVR1
SCHEMBL16658140 0.59 BRD9 (0.61) BRD9BRD7TAF1TGFBR1ACVR1
SCHEMBL10090152 0.58 CASP3 (0.58) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL30648519 0.58 CYP11B2 (0.47) SMN1; SMN2TSHRKMT2AMEN1GAA
SCHEMBL15440804 0.58 HTT (0.67) SMN1; SMN2TDP1KMT2AGAAALDH1A1
SCHEMBL21227726 0.58 BRD9 (0.69) SMN1; SMN2MAPTTSHRBRD9BRD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009051504-A1 BENZO- AND PYRIDOPYRIDAZINONES WITH ANALGESIC AND ANTIINFLAMMATORY ACTIVITY UNIWERSYTET LODSKI (PL) 2009-04-23 — — WO disclosed
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