SCHEMBL7366918

SCHEMBL7366918

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.54
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL7368571 0.85 CTDSP1 (0.56) PKMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5412652 0.74 KMT2A (0.52) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL6792419 0.73 KMT2A (0.88) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL5422670 0.72 KMT2A (0.64) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL8003156 0.71 F10 (0.61) PKMKMT2AMEN1RAB9AF2
SCHEMBL6895006 0.71 PKM (0.48) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL18134604 0.71 MCOLN3 (0.83) PKMLMNASMN1; SMN2HTTKMT2A
Hydrochloric Acid SCHEMBL6896958 0.71 F10 (0.61) PKMKMT2AMEN1RAB9AF2
SCHEMBL10424718 0.70 PKM (0.65) PKMLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL7997631 0.70 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