SCHEMBL9484331

SCHEMBL9484331

CNCCN(CCNCC=Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 10/20 0.63
PRKACA P17612 5/20 0.55
ROCK2 O75116 5/20 0.55
AKT2 P31751 4/20 0.55
MAPK1 P28482 3/20 0.55
AKT3 Q9Y243 3/20 0.55
PRKCG P05129 3/20 0.55
PRKCZ Q05513 3/20 0.55
PRKCD Q05655 3/20 0.55
PRKACG P22612 3/20 0.55
PRKACB P22694 3/20 0.55
RPS6KB1 P23443 2/20 0.55
AKT1 P31749 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
NFKB1 P19838 2/20 0.55
PRKD3 O94806 2/20 0.55
PRKCB P05771 2/20 0.55
PRKCA P17252 2/20 0.55

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
SCHEMBL9484329 1.00 FLT3 (0.63) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9634900 0.92 FLT3 (0.64) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9484853 0.89 FLT3 (0.58) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9484851 0.89 FLT3 (0.58) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9484535 0.88 FLT3 (0.79) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9484549 0.88 FLT3 (0.79) FLT3PRKACAROCK2AKT2MAPK1
Hydrochloric Acid SCHEMBL9495581 0.88 FLT3 (0.57) FLT3PRKACAROCK2AKT2MAPK1
Hydrochloric Acid SCHEMBL9495570 0.88 FLT3 (0.57) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9483657 0.88 FLT3 (0.59) FLT3PRKACAROCK2AKT2MAPK1
SCHEMBL9484449 0.88 FLT3 (0.61) FLT3PRKACAROCK2AKT2MAPK1

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
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed