SCHEMBL16935802

SCHEMBL16935802

CCN(Nc1ccc(I)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.35
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
SYK P43405 1/20 0.33
KYAT1 Q16773 1/20 0.33
ABCC9 O60706 1/20 0.33
KCNJ11 Q14654 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP17A1 P05093 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL16011812 0.76 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2POLB
SCHEMBL17060879 0.73 JAK2 (0.38) SYKCYP17A1
SCHEMBL23545662 0.73 HDAC1 (0.48) AKT1NPC1HSD17B10HDAC3HDAC1
SCHEMBL17572258 0.72 FPR3 (0.43) RAB9AKDM4E
SCHEMBL17572297 0.72 GAA (0.42) MAPTRAB9AKDM4ENPC1
SCHEMBL7032556 0.72 CA12 (0.38) RAB9AHDAC1TRPV1
SCHEMBL24051939 0.71 HDAC3 (0.42) SMN1; SMN2HDAC3HDAC1HDAC2NCOR2
SCHEMBL15669149 0.71 CA14 (0.36) AKT1MAPTRAB9AKDM4ENPC1
SCHEMBL5360319 0.70 MT-CO2 (0.37) AKT1MAPTRAB9AKDM4ENPC1
SCHEMBL718380 0.70 CYP17A1 (0.52) SMN1; SMN2CYP17A1TRPV1

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-3096751-A1 12-EPI-PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2016-11-30 EP disclosed
WO-2015110481-A1 12-EPI-PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2015-07-30 WO disclosed