SCHEMBL6796799

SCHEMBL6796799

O=C1CN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CCN1NC1CCN(c2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.47
CYP17A1 P05093 9/20 0.46
CYP21A2 P08686 7/20 0.46
CYP11B1 P15538 7/20 0.46
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 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
SCHEMBL6796805 1.00 F10 (0.47) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5729383 0.91 LSS (0.42) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5729378 0.91 LSS (0.42) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5728932 0.91 USP2 (0.43) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5728929 0.91 USP2 (0.43) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL6804496 0.91 KMT2A (0.48) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL6804493 0.91 KMT2A (0.48) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5731142 0.88 GAA (0.51) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL5731138 0.88 GAA (0.51) F10CYP17A1CYP21A2CYP11B1MAPT
SCHEMBL6797988 0.83 TP53 (0.48) F10SMN1; SMN2CYP3A4MEN1LMNA

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-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