SCHEMBL22239359

SCHEMBL22239359

CCNCCN(C)C(=O)OCc1ccc(NI)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.41
TPSAB1 Q15661 1/20 0.41
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CCR6 P51684 1/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
LMNA P02545 2/20 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
SCHEMBL29332012 0.85 F13A1 (0.43) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL20067654 0.85 PRSS1 (0.43) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL7367661 0.84 CCR6 (0.51) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL29331201 0.83 TGM2 (0.46) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL24760213 0.76 PRSS1 (0.44) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL24797627 0.74 PRSS1 (0.45) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL24760542 0.73 F13A1 (0.43) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL1678201 0.72 DRD2 (0.50) F13A1TGM2TGM1CCR6PAX8
SCHEMBL24760629 0.72 PRSS1 (0.41) PRSS1TPSAB1F13A1TGM2TGM1
SCHEMBL1677497 0.72 CCR6 (0.53) F13A1TGM2TGM1CCR6PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3525826-B1 NON-LINEAR SELF-IMMOLATIVE LINKERS AND CONJUGATES THEREOF BYONDIS BV (NL) 2020-07-22 EP disclosed