SCHEMBL9017593

SCHEMBL9017593

CCCNC(=O)c1c(N)ccc(C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA2 P47869 3/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9017600 0.88 PRKCZ (0.42) POLBALOX15KMT2AKDM4EHSD17B10
SCHEMBL9017618 0.86 L3MBTL1 (0.51) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL4593067 0.80 L3MBTL1 (0.48) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8734969 0.77 PTGS2 (0.41) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8732695 0.77 P2RX7 (0.58) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8735823 0.76 PTGS2 (0.41) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8735191 0.76 PTGS2 (0.41) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8735837 0.75 NPC1 (0.39) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL8735214 0.74 CYP1A2 (0.39) POLBL3MBTL1THRBRECQLTDP1
SCHEMBL7813262 0.74 RECQL (0.68) POLBL3MBTL1THRBRECQLTDP1

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-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed