SCHEMBL7985303

SCHEMBL7985303

O=S1(=O)c2ccccc2NC[C@H]2CCCN21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MMP2 P08253 2/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40
OPRL1 P41146 6/20 0.39
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
OPRM1 P35372 4/20 0.33
GRIA2 P42262 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL7978678 1.00 GAA (0.50) GAAMEN1KMT2AMMP2MMP9
SCHEMBL5624695 0.76 GAA (0.42) GAAMEN1KMT2AMMP2MMP9
SCHEMBL5069696 0.72 ALDH1A1 (0.54) GAAMEN1KMT2AMMP2MAPT
SCHEMBL19286126 0.71 FEN1 (0.46)
SCHEMBL7985244 0.67 GAA (1.00) GAAMEN1KMT2AOPRL1MAPT
SCHEMBL18221852 0.67 CHRNA7 (0.40) KMT2AOPRM1OPRK1
SCHEMBL32677827 0.67 GAA (1.00) GAAMEN1KMT2AOPRL1MAPT
SCHEMBL7968472 0.67 GAA (1.00) GAAMEN1KMT2AOPRL1MAPT
SCHEMBL7982332 0.67 GAA (1.00) GAAMEN1KMT2AOPRL1MAPT
SCHEMBL20986934 0.66 PARP1 (0.41) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed