SCHEMBL3246039

SCHEMBL3246039

O=C(Nc1ccc(Br)cn1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.75
▸ NPC1 O15118 2/20 0.75
▸ RAB9A P51151 2/20 0.75
▸ KMT2A Q03164 2/20 0.75
▸ RXFP1 Q9HBX9 2/20 0.75
▸ PTGS1 P23219 4/20 0.73
▸ ALOX15 P16050 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ CASP1 P29466 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ KCNQ3 O43525 2/20 0.58
▸ KCNQ2 O43526 2/20 0.58
▸ KCNE1 P15382 2/20 0.58
▸ KCNQ1 P51787 2/20 0.58
▸ KCNQ5 Q9NR82 1/20 0.58
▸ P2RX1 P51575 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PTGES O14684 1/20 0.54
▸ MAPT P10636 1/20 0.53

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
SCHEMBL30354791 0.85 PTGS1 (1.00) PTGS1ALOX15TSHRCASP1NPSR1
SCHEMBL29151281 0.85 PTGS1 (1.00) PTGS1ALOX15TSHRCASP1NPSR1
SCHEMBL25223673 0.81 PTGS1 (0.62) MEN1RAB9AKMT2APTGS1ALOX15
SCHEMBL3249395 0.81 NPC1 (0.70) MEN1NPC1RAB9AKMT2ARXFP1
SCHEMBL14082706 0.81 MEN1 (0.55) MEN1NPC1RAB9AKMT2ARXFP1
SCHEMBL3183924 0.81 KMT2A (0.74) MEN1NPC1RAB9AKMT2ANPSR1
SCHEMBL29151324 0.81 PTGS1 (0.67) NPC1RAB9AKMT2ARXFP1PTGS1
SCHEMBL30354767 0.81 PTGS1 (0.67) NPC1RAB9AKMT2ARXFP1PTGS1
SCHEMBL30362498 0.80 ALOX15 (0.72) NPC1RAB9APTGS1ALOX15TSHR
SCHEMBL3768771 0.80 NPC1 (0.81) MEN1NPC1RAB9AKMT2ARXFP1

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
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 — — WO disclosed
Send feedback