SCHEMBL24567313

SCHEMBL24567313

Brc1cnn2ccc(N3CCOCC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 2/20 0.50
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
LGMN Q99538 2/20 0.42
SMPD3 Q9NY59 2/20 0.42
MAP4K4 O95819 1/20 0.40
PIK3CA P42336 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL33913 0.82 SMPD3 (0.55) EPHB3MAPTALDH1A1RAB9ANPC1
SCHEMBL24567286 0.82 EPHB3 (0.53) EPHB3MAPTALDH1A1RAB9ANPC1
SCHEMBL24567287 0.82 EPHB3 (0.53) EPHB3MAPTALDH1A1RAB9ANPC1
SCHEMBL17437883 0.78 EPHB3 (0.63) EPHB3MAPTALDH1A1RAB9ANPC1
SCHEMBL17454455 0.77 EPHB3 (0.62) EPHB3MAPTALDH1A1L3MBTL1BRD9
SCHEMBL27431439 0.77 EPHB3 (0.62) EPHB3SMPD3BRD9BAZ2B
SCHEMBL17452618 0.74 EPHB3 (0.59) EPHB3MAPTALDH1A1L3MBTL1BRD9
SCHEMBL24567289 0.72 CYP3A4 (0.48) EPHB3ALDH1A1MEN1KMT2ATSHR
SCHEMBL24567288 0.72 HTT (0.51) EPHB3MAPTALDH1A1RAB9ANPC1
SCHEMBL31469893 0.72 EPHB3 (0.56) EPHB3MAPTALDH1A1MEN1KMT2A

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-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed