SCHEMBL26703897

SCHEMBL26703897

O=C(NCc1ccccn1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 3/20 0.62
PKM P14618 1/20 0.62
SORT1 Q99523 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NAMPT P43490 1/20 0.54
EPHX2 P34913 1/20 0.53
PPARG P37231 1/20 0.52
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPK14 Q16539 1/20 0.51
AURKA O14965 1/20 0.51
ALDH1A1 P00352 4/20 0.51

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
SCHEMBL26703992 0.89 LMNA (0.67) LMNANPC1RAB9APOLBKMT2A
SCHEMBL26703989 0.88 LMNA (0.77) LMNANPC1RAB9APOLBKMT2A
SCHEMBL11626193 0.87 SORT1 (0.65) LMNANPC1RAB9APOLBKMT2A
SCHEMBL4181950 0.87 LMNA (0.70) LMNANPC1RAB9APOLBKMT2A
Hydrochloric Acid SCHEMBL11626061 0.86 SORT1 (0.64) LMNANPC1RAB9APOLBKMT2A
SCHEMBL26704026 0.84 RAB9A (0.63) LMNANPC1RAB9APOLBKMT2A
SCHEMBL26704199 0.84 KMT2A (0.57) LMNANPC1RAB9APOLBKMT2A
SCHEMBL14082655 0.83 LMNA (0.62) LMNANPC1RAB9APOLBKMT2A
SCHEMBL26704104 0.82 RAB9A (0.61) LMNANPC1RAB9APOLBKMT2A
SCHEMBL23795935 0.82 LMNA (0.58) LMNANPC1RAB9APOLBKMT2A

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-2023211195-A1 N-OXIDE COMPOUNDS AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2023-11-02 WO disclosed