SCHEMBL1704386

SCHEMBL1704386

CCOC(=O)c1noc(Cc2ccccc2)n1.O=C(Cl)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
BMP1 P13497 1/20 0.45
SLC26A6 Q9BXS9 4/20 0.44
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
TPSAB1 Q15661 3/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
KLKB1 P03952 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL892934 0.92 MMP2 (0.51) MMP2BMP1SLC26A6PRSS1PRSS2
SCHEMBL892951 0.82 KMT2A (0.54) SLC26A6SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL892714 0.81 SLC26A6 (0.48) MMP2BMP1SLC26A6PRSS1PRSS2
SCHEMBL892994 0.80 MAPT (0.51) SLC26A6PRSS1PRSS2PRSS3TPSAB1
SCHEMBL892478 0.80 SLC26A6 (0.53) MMP2BMP1SLC26A6SMN1; SMN2RAB9A
SCHEMBL892925 0.79 SLC26A6 (0.52) SLC26A6PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31485363 0.79 PRSS1 (0.49) PRSS1PRSS2PRSS3TPSAB1SMN1; SMN2
SCHEMBL892484 0.78 SLC26A6 (0.55) MMP2BMP1SLC26A6SMN1; SMN2POLB
SCHEMBL892555 0.77 SMN1; SMN2 (0.43) MMP2BMP1SLC26A6PRSS1PRSS2
SCHEMBL892476 0.77 SLC26A6 (0.53) SLC26A6POLBKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed