SCHEMBL5729414

SCHEMBL5729414

O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1NC1CCN(c2cccnc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MET P08581 1/20 0.39
NPY5R Q15761 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5729098 0.89 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729796 0.89 F10 (0.61) F10
SCHEMBL5729294 0.84 F10 (0.51) F10SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL5729622 0.83 F10 (0.51) F10SMN1; SMN2HTR7HTR6
SCHEMBL5729435 0.82 F10 (0.49) F10SMN1; SMN2HTTHTR7HTR6
SCHEMBL5729816 0.81 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729464 0.81 F10 (0.46) F10HTR7HTR6
SCHEMBL5729659 0.80 F10 (0.43) F10SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL5729499 0.80 F10 (0.42) F10SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5729459 0.80 F10 (0.42) F10SMN1; SMN2MAPT

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
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed