SCHEMBL29590104

SCHEMBL29590104

O=C(Nc1ccc(F)c(F)c1)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCC4)nc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.49
▸ KCNQ2 O43526 2/20 0.49
▸ MAPT P10636 4/20 0.42
▸ TP53 P04637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ CNR1 P21554 5/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B14 Q9BPX1 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL14784252 1.00 KCNQ3 (0.49) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL14783207 0.94 KCNQ3 (0.47) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL29590017 0.94 KCNQ3 (0.47) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL29590313 0.94 MAPT (0.48) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL14783015 0.94 MAPT (0.48) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL14783517 0.93 KCNQ3 (0.42) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL29591614 0.93 KCNQ3 (0.42) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL14783011 0.92 MTOR (0.52) KCNQ3KCNQ2MTOREPHX2
SCHEMBL14783380 0.92 HDAC3 (0.49) KCNQ3KCNQ2MAPTTP53LMNA
SCHEMBL29591549 0.92 MTOR (0.52) KCNQ3KCNQ2MTOREPHX2

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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