SCHEMBL11212635

SCHEMBL11212635

CCOc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.80
KCNK9 Q9NPC2 4/20 0.80
F2R P25116 1/20 0.65
PTGS1 P23219 1/20 0.62
TAAR1 Q96RJ0 1/20 0.59
RXFP1 Q9HBX9 4/20 0.58
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTGES O14684 2/20 0.54
NR1H4 Q96RI1 1/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PTPRC P08575 1/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
FADS1 O60427 1/20 0.52

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
SCHEMBL16553649 0.91 KCNK3 (0.70) KCNK3KCNK9F2RPTGS1RXFP1
SCHEMBL11204897 0.86 NPC1 (0.70) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL18555 0.85 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL29451184 0.85 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL8362549 0.85 KCNK3 (0.65) KCNK3KCNK9F2RPTGS1RXFP1
SCHEMBL1385895 0.82 KCNK3 (0.57) KCNK3KCNK9F2RPTGS1TAAR1
SCHEMBL11780348 0.82 POLB (0.67) KCNK3KCNK9F2RKMT2ASMN1; SMN2
SCHEMBL23367946 0.81 F2R (0.70) KCNK3KCNK9F2RPTGS1RXFP1
SCHEMBL3778221 0.81 RAB9A (0.72) KCNK3KCNK9F2RPTGS1RXFP1
Flutolanil SCHEMBL18222334 0.80 KCNK3 (0.59) KCNK3KCNK9F2RPTGS1RXFP1

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
JP-58085803-A None JP disclosed
JP-S5885803-A WOOD PRESERVATIVE IHARA CHEM IND CO LTD 1983-05-23 JP disclosed