SCHEMBL5729403

SCHEMBL5729403

O=C1CN(S(=O)(=O)c2cc3cc(Cl)ccc3o2)CCN1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.43
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL6888115 0.84 F10 (0.44) F10
SCHEMBL5729098 0.84 F10 (0.61) F10
Hydrochloric Acid SCHEMBL6895587 0.84 F10 (0.43) F10
Hydrochloric Acid SCHEMBL5729796 0.83 F10 (0.61) F10
SCHEMBL6797988 0.81 TP53 (0.48) F10
SCHEMBL8119105 0.79 F10 (0.49) F10
SCHEMBL5729234 0.79 F10 (0.57) F10
SCHEMBL5729725 0.79 F10 (0.40) F10CYP17A1CYP21A2CYP11B1
SCHEMBL5729011 0.78 F10 (0.39) F10CYP17A1CYP21A2CYP11B1
SCHEMBL5729372 0.76 HTR6 (0.44) F10AKR1B1

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-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed