SCHEMBL6152729

SCHEMBL6152729

CC(C)(C)OC(=O)NCc1ncccc1-c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.47
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
F2 P00734 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40

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 SCHEMBL6735803 0.85 F10 (0.46) F10ATMSMN1; SMN2GAAF2
SCHEMBL5734302 0.84 F10 (0.54) F10ATMGAAF2MEN1
SCHEMBL6152519 0.84 F10 (0.54) F10ATMSMN1; SMN2GAALMNA
SCHEMBL6730989 0.81 F10 (0.46) F10ATMSMN1; SMN2GAAF2
SCHEMBL6730621 0.81 F10 (0.49) F10ATMF2MEN1KMT2A
SCHEMBL6727917 0.80 F10 (0.49) F10ATMSMN1; SMN2GAAF2
SCHEMBL6197720 0.80 F10 (0.53) F10ATMGAAF2MEN1
SCHEMBL6195472 0.80 F10 (0.52) F10ATMMEN1KMT2A
SCHEMBL6196725 0.80 F10 (0.54) F10ATMF2MEN1KMT2A
SCHEMBL5734092 0.80 F10 (0.50) F10ATMSMN1; SMN2F2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082303-B1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6395731-B1 ANTICOAGULANTS ASTRAZENECA AB (SE) 2002-05-28 US disclosed
EP-1082303-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA AstraZeneca AB (SE) 2001-03-14 EP disclosed
WO-1999057099-A1 HETEROCYCLIC DERIVATIVES WHICH INHIBIT FACTOR XA ASTRAZENECA AB (SE) 1999-11-11 WO disclosed