SCHEMBL5676572

SCHEMBL5676572

C=Cc1c(C(=O)OCC)cnn1-c1ccc(Cl)cc1.CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
GPR35 Q9HC97 3/20 0.45
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL6402521 0.93 ALDH1A1 (0.54) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6403552 0.90 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5680923 0.83 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6405411 0.78 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5680826 0.78 ALDH1A1 (0.60) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6527991 0.76 ALDH1A1 (0.81) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL31636462 0.76 ALDH1A1 (0.57) ALDH1A1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL5681180 0.75 GPR35 (0.45) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL5678545 0.75 PTPN1 (0.46) RAB9ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL6407442 0.75 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2TSHRHTT

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
EP-1620405-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS Abbott Laboratories (US) 2006-02-01 EP disclosed
WO-2004099154-A2 PYRAZOLE-AMIDES AND SULFONAMIDES AS SODIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2004-11-18 WO disclosed