SCHEMBL29590480

SCHEMBL29590480

O=C(Nc1cccc(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1)c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ TP53 P04637 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HDAC3 O15379 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ KCNQ3 O43525 2/20 0.47
▸ KCNQ2 O43526 2/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KCNK3 O14649 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45
▸ KCNQ5 Q9NR82 1/20 0.45

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
SCHEMBL14783338 1.00 MAPT (0.60) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL29592542 0.94 MAPT (0.56) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL14783359 0.94 MAPT (0.56) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL14783332 0.92 MAPT (0.54) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL29591012 0.92 MAPT (0.54) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL29590362 0.91 CNR1 (0.49) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL14783386 0.91 CNR1 (0.49) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL28233924 0.90 MAPT (0.49) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL14784329 0.90 MAPT (0.58) MAPTTP53SMN1; SMN2RAB9ANPC1
SCHEMBL29590232 0.90 MAPT (0.58) MAPTTP53SMN1; SMN2RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403531-A Chemical entities, compositions, and methods as kinase inhibitors 润新生物公司 2022-11-29 — — CN disclosed
CN-108794411-B Certain chemical entities, compositions, and methods 润新生物公司 2022-06-07 — — CN disclosed
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