SCHEMBL22902863

SCHEMBL22902863

Cc1cc(C(=O)Nc2ccccn2)ccc1B(O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.63
NPC1 O15118 11/20 0.63
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 8/20 0.56
TP53 P04637 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
F2 P00734 1/20 0.56
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
PKM P14618 2/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL21903679 0.85 MEN1 (0.64) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL20332881 0.85 RAB9A (0.61) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL29792071 0.85 RAB9A (0.61) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL21903692 0.83 F2 (0.62) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL14985581 0.82 MEN1 (0.67) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL3901088 0.80 NPC1 (0.66) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL31019644 0.80 NPC1 (0.65) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL11219536 0.80 NPC1 (0.65) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL27299415 0.80 NPC1 (0.65) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL20558362 0.79 NPC1 (0.64) RAB9ANPC1MEN1KMT2ATDP1

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-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 WO disclosed