SCHEMBL6797988

SCHEMBL6797988

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
F10 P00742 4/20 0.48
LSS P48449 3/20 0.45
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
CHRM1 P11229 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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 0.90 F10 (0.61) F10
SCHEMBL5730605 0.90 LSS (0.58) F10LSSLMNASMN1; SMN2CHRM1
Hydrochloric Acid SCHEMBL5729796 0.90 F10 (0.61) F10
SCHEMBL5730007 0.87 LSS (0.43) F10LSSKMT2ALMNASMN1; SMN2
SCHEMBL6796799 0.83 F10 (0.47) F10KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL6796805 0.83 F10 (0.47) F10KMT2ALMNASMN1; SMN2CYP3A4
SCHEMBL5729012 0.82 F10 (0.48) F10LSSCHRM1
Hydrochloric Acid SCHEMBL5728956 0.82 F10 (0.47) F10LSSCHRM1
SCHEMBL5729816 0.82 F10 (0.61) F10
SCHEMBL5729403 0.81 F10 (0.43) F10

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