SCHEMBL6184793

SCHEMBL6184793

Cc1cc(-c2c(-c3ccccc3)cnc(-c3cccc(C=NN)c3)c2C(N)=O)c(S(N)(=O)=O)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 2/20 0.32
AKT1 P31749 1/20 0.32
CTSA P10619 2/20 0.31
F10 P00742 2/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP3K8 P41279 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CA1 P00915 2/20 0.30

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
SCHEMBL6184792 0.84 JAK2 (0.32) LMNAHPGDJAK2CTSAF10
SCHEMBL6166463 0.84 F10 (0.31) JAK2F10F2PRSS1PRSS2
SCHEMBL6166467 0.72 F10 (0.51) MEN1KMT2AF10F2PRSS1
SCHEMBL6164018 0.64 CDC7 (0.37) KMT2ACTSAF10MAPK1KDM4E
SCHEMBL6167430 0.63 ALDH1A1 (0.37) LMNAHPGDGAACTSAKDM4E
SCHEMBL6164851 0.62 RPS6KA5 (0.31) CTSA
SCHEMBL6164550 0.61 ALOX5AP (0.46)
SCHEMBL6166685 0.61 CSNK1E (0.40)
SCHEMBL27824725 0.56 CHEK2 (0.50) GAAMEN1KMT2AMAPK1MAP3K8
SCHEMBL4674159 0.56 AKT1 (0.70) LMNAHPGDCYP2C9CYP2C19GAA

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed