SCHEMBL30499697

SCHEMBL30499697

NC(=O)Nc1ccc(Br)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
NPC1 O15118 4/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 2/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL6823604 1.00 KIF11 (0.51) KIF11NPC1MEN1KMT2ARAB9A
SCHEMBL11578514 0.83 NPC1 (0.43) KIF11NPC1MEN1KMT2ARAB9A
SCHEMBL20310394 0.81 MAPK1 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL31068310 0.81 KIF11 (0.66) KIF11NPC1MEN1KMT2ARAB9A
SCHEMBL18324579 0.81 SIGMAR1 (0.59) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL5428786 0.81 KIF11 (0.66) KIF11NPC1MEN1KMT2ARAB9A
SCHEMBL11883565 0.80 NPC1 (0.43) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL31236185 0.80 ALDH1A1 (0.62) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9835752 0.80 NPC1 (0.53) NPC1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL31236186 0.80 ALDH1A1 (0.62) NPC1MEN1KMT2ARAB9ASMN1; SMN2

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
CN-111988996-B Improving yield of nut bearing plants UPL有限责任公司 2023-07-14 CN disclosed