SCHEMBL9017627

SCHEMBL9017627

Nc1cccc(Cl)c1C(=O)NC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.55
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
TAS1R2 Q8TE23 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 7/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 5/20 0.51
P2RX7 Q99572 2/20 0.51
JAK1 P23458 1/20 0.50
TP53 P04637 2/20 0.48
MDM2 Q00987 2/20 0.48
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL14492763 0.80 L3MBTL1 (0.67) L3MBTL1TSHR
SCHEMBL22041535 0.79 CRBN (0.57) TAS1R3TAS1R1TAS1R2L3MBTL1RAB9A
SCHEMBL7856701 0.77 KMT2A (0.56) MAPK14TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL3459780 0.77 RAB9A (0.54) MAPK14TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL7845992 0.75 MAPK14 (0.52) MAPK14TAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL24209849 0.75 JAK1 (0.59) L3MBTL1KMT2AP2RX7JAK1TSHR
SCHEMBL6366548 0.75 RAB9A (0.49) TAS1R3TAS1R1TAS1R2RAB9AKMT2A
SCHEMBL26705429 0.75 CRBN (0.60) L3MBTL1P2RX7TP53MDM2
SCHEMBL27647724 0.75 ALDH1A1 (0.58) L3MBTL1RAB9AKMT2AMEN1NPC1
SCHEMBL9884064 0.75 P2RX7 (0.58) MAPK14TAS1R3TAS1R1TAS1R2L3MBTL1

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