SCHEMBL7365043

SCHEMBL7365043

O=C(O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
RAB9A P51151 1/20 0.51
CYP2C19 P33261 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
GAA P10253 1/20 0.49
F10 P00742 3/20 0.48
F2 P00734 2/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSD11B1 P28845 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL735675 0.75 TSHR (0.81) KMT2ARAB9ACYP2C19TSHRHPGD
SCHEMBL7506946 0.75 F2 (0.62) F10F2PLGPLATPRSS1
SCHEMBL23291471 0.74 KMT2A (0.63) KMT2ARAB9ACYP2C19POLBCYP2D6
SCHEMBL7409173 0.74 TSHR (0.50) KMT2ARAB9ACYP2C19TSHRHPGD
SCHEMBL7368571 0.74 CTDSP1 (0.56) KMT2ARAB9ATSHRGAAF10
SCHEMBL7369405 0.73 GAA (0.62) KMT2ARAB9ACYP2C19TSHRHPGD
SCHEMBL23291450 0.72 CASP3 (0.74) F10F2PLGPLATPRSS1
SCHEMBL2960518 0.72 POLB (0.48) KMT2APOLBGAAF10F2
SCHEMBL31069673 0.72 F2 (0.48) KMT2ACYP2C19POLBCYP2D6CYP2C9
SCHEMBL7365707 0.70 KMT2A (0.66) KMT2ACYP2C19TSHRHPGDPOLB

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