SCHEMBL29590362

SCHEMBL29590362

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HDAC3 O15379 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 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
SCHEMBL14783386 1.00 CNR1 (0.49) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL14783553 0.95 MAPT (0.47) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL29591337 0.95 MAPT (0.47) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL14783232 0.95 CNR1 (0.53) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL29591331 0.93 CNR1 (0.56) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL14783621 0.93 CNR1 (0.56) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL29591266 0.92 PIK3CA (0.50) MAPTTP53SMN1; SMN2HDAC3HDAC2
SCHEMBL14783991 0.92 HDAC3 (0.54) CNR1MAPTTP53SMN1; SMN2HDAC3
SCHEMBL14783328 0.92 PIK3CA (0.50) MAPTTP53SMN1; SMN2HDAC3HDAC2
SCHEMBL29590847 0.92 HDAC3 (0.54) CNR1MAPTTP53SMN1; SMN2HDAC3

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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