SCHEMBL5729012

SCHEMBL5729012

O=C1CN(S(=O)(=O)c2ccc3cc(Br)ccc3c2)CCN1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.48
LSS P48449 2/20 0.48
TPSAB1 Q15661 3/20 0.40
ATM Q13315 1/20 0.38
CHRM1 P11229 2/20 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
Hydrochloric Acid SCHEMBL5728956 0.99 F10 (0.47) F10LSSTPSAB1ATMCHRM1
SCHEMBL5730605 0.90 LSS (0.58) F10LSSCHRM1
SCHEMBL5729098 0.89 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729796 0.88 F10 (0.61) F10
SCHEMBL8118785 0.83 F10 (0.48) F10LSSTPSAB1ATMCHRM1
Hydrochloric Acid SCHEMBL7050686 0.83 F10 (0.47) F10LSSTPSAB1ATMCHRM1
SCHEMBL6797988 0.82 TP53 (0.48) F10LSSCHRM1
SCHEMBL5729187 0.81 F10 (0.46) F10LSSATM
SCHEMBL5729816 0.81 F10 (0.61) F10
Hydrochloric Acid SCHEMBL5729549 0.80 F10 (0.45) F10LSS

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