SCHEMBL29634014

SCHEMBL29634014

COc1ccc(Br)cc1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.51
PDE4D Q08499 1/20 0.49
TSHR P16473 3/20 0.49
NPC1 O15118 2/20 0.49
AMY1A P0DUB6 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK10 P53779 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RORC P51449 2/20 0.43
RORB Q92753 2/20 0.43
FYN P06241 2/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PSMD14 O00487 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL3796770 1.00 PDE4B (0.51) PDE4BPDE4DTSHRNPC1AMY1A
SCHEMBL29634026 0.86 NPC1 (0.54) TSHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5099550 0.86 PDE4D (0.56) PDE4BPDE4DTSHRNPC1MAPT
SCHEMBL3787052 0.82 PDE4B (0.52) PDE4BPDE4DTSHRNPC1MAPT
SCHEMBL5827764 0.81 NPC1 (0.63) TSHRNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3841461 0.81 PDE4D (0.52) PDE4BPDE4DTSHRNPC1MAPT
SCHEMBL8066084 0.81 PDE4B (0.51) PDE4BPDE4DTSHRNPC1MAPT
SCHEMBL3466479 0.80 PDE4B (0.60) PDE4BPDE4DTSHRNPC1MAPT
SCHEMBL3797410 0.80 HTR7 (0.55) PDE4BPDE4DMAPK10RORCRORB
SCHEMBL6496645 0.79 GAA (0.51) TSHRNPC1AMY1ARAB9AMAPT

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-113214178-B 3-aryl substituted anthranilic anhydride derivative and preparation method thereof 广东工业大学 2022-05-13 CN disclosed