SCHEMBL7368571

SCHEMBL7368571

O=C(O)CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 1/20 0.54
MCOLN3 Q8TDD5 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
AKR1C3 P42330 2/20 0.51
AKR1C1 Q04828 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
F2 P00734 1/20 0.51
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51
PLAT P00750 1/20 0.51

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
SCHEMBL7366918 0.85 PKM (0.54) PKMMEN1KMT2ARAB9AALDH1A1
SCHEMBL2960518 0.80 POLB (0.48) L3MBTL1PKMMEN1KMT2AGAA
SCHEMBL31069673 0.80 F2 (0.48) PKMMEN1KMT2AALDH1A1F2
SCHEMBL31069669 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8003156 0.76 F10 (0.61) PKMMEN1KMT2ARAB9AF2
SCHEMBL6895006 0.76 PKM (0.48) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL18134604 0.76 MCOLN3 (0.83) CTDSP1TDP1L3MBTL1PKMMEN1
Hydrochloric Acid SCHEMBL6896958 0.76 F10 (0.61) PKMMEN1KMT2ARAB9AF2
SCHEMBL10424718 0.75 PKM (0.65) PKMMEN1KMT2ARAB9AMCOLN3
SCHEMBL7997631 0.75 F10 (0.63) F2F10PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211183-B1 PIPERAZINE DERIVATIVE ANTICOAGULANTS; ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS COR THERAPEUTICS, INC. 2001-04-03 US disclosed
EP-0975625-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 2000-02-02 EP disclosed
WO-1998046591-A1 SELECTIVE FACTOR Xa INHIBITORS COR THERAPEUTICS, INC. (US) 1998-10-22 WO disclosed