SCHEMBL30726440

SCHEMBL30726440

O=[N+]([O-])c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
MAPT P10636 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
HTT P42858 2/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
L3MBTL1 Q9Y468 1/20 0.75
MMP13 P45452 3/20 0.69
MMP2 P08253 2/20 0.69
MMP9 P14780 2/20 0.69
MMP8 P22894 2/20 0.69
NPBWR1 P48145 10/20 0.64
NPC1 O15118 3/20 0.62
DGAT1 O75907 3/20 0.62
KCNH2 Q12809 3/20 0.62
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
PKN1 Q16512 1/20 0.54

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
SCHEMBL27040204 1.00 RAB9A (0.75) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL3204662 0.91 RAB9A (0.75) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL6330463 0.86 NPC1 (0.73) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL28761270 0.86 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL31357765 0.86 RAB9A (1.00) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL3204647 0.83 RAB9A (0.60) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL11903563 0.83 RAB9A (0.70) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL31357888 0.81 RAB9A (0.81) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL3336091 0.81 RAB9A (0.80) RAB9AMAPTSMN1; SMN2HTTMEN1
SCHEMBL20445295 0.79 NPBWR1 (1.00) RAB9AMAPTSMN1; SMN2HTTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed