SCHEMBL11204897

SCHEMBL11204897

COc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ KCNK3 O14649 3/20 0.67
▸ KCNK9 Q9NPC2 3/20 0.67
▸ PTGS1 P23219 1/20 0.66
▸ KMT2A Q03164 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ F2R P25116 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ TP53 P04637 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ NLRP3 Q96P20 1/20 0.60
▸ RXFP1 Q9HBX9 2/20 0.60
▸ HPGD P15428 1/20 0.59

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
Flutolanil SCHEMBL8362549 0.88 KCNK3 (0.65) NPC1RAB9AKCNK3KCNK9PTGS1
Flutolanil SCHEMBL18555 0.88 KCNK3 (0.65) NPC1RAB9AKCNK3KCNK9PTGS1
Flutolanil SCHEMBL29451184 0.88 KCNK3 (0.65) NPC1RAB9AKCNK3KCNK9PTGS1
SCHEMBL11212635 0.86 KCNK3 (0.80) NPC1RAB9AKCNK3KCNK9PTGS1
SCHEMBL16553649 0.84 KCNK3 (0.70) KCNK3KCNK9PTGS1KMT2AGAA
Flutolanil SCHEMBL18222334 0.83 KCNK3 (0.59) KCNK3KCNK9PTGS1KMT2AF2R
SCHEMBL12764065 0.82 KCNK3 (0.83) RAB9AKCNK3KCNK9PTGS1KMT2A
SCHEMBL1380190 0.81 RAB9A (0.53) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL4436642 0.81 KCNK3 (0.77) NPC1RAB9AKCNK3KCNK9KMT2A
SCHEMBL3209880 0.81 KDM4E (0.73) NPC1RAB9AKCNK3KCNK9KMT2A

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
Send feedback