SCHEMBL6163098

SCHEMBL6163098

CCOC(=O)c1c(Cc2cccc(C(=N)N)c2)c[nH]c1Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F2 P00734 2/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 4/20 0.40
PTGES O14684 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NLRP3 Q96P20 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6165952 0.94 SMN1; SMN2 (0.46) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6166475 0.84 SMN1; SMN2 (0.53) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6161730 0.84 MAPT (0.49) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6168271 0.84 SMN1; SMN2 (0.46) F10MAPTMAPK1SMN1; SMN2F2
SCHEMBL6165871 0.83 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
Trifluoroacetic Acid SCHEMBL6162234 0.81 SMN1; SMN2 (0.48) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6161633 0.80 F10 (0.46) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6163464 0.80 SMN1; SMN2 (0.47) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6163059 0.80 SMN1; SMN2 (0.47) F10MAPTMAPK1SMN1; SMN2F2
Trifluoroacetic Acid SCHEMBL6166105 0.78 SMN1; SMN2 (0.46) F10MAPTMAPK1SMN1; SMN2F2

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