SCHEMBL29996083

SCHEMBL29996083

Nc1cc(F)c(NC(=O)c2ccc(C(=O)Nc3cc(F)c(N)cc3F)cc2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.63
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ HDAC2 Q92769 5/20 0.52
▸ HDAC3 O15379 5/20 0.52
▸ NCOR2 Q9Y618 2/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL28437543 0.94 HDAC1 (0.56) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL6782460 0.85 HDAC1 (0.68) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL21675984 0.81 HDAC1 (0.72) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL29996129 0.79 HDAC1 (0.63) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL26416452 0.79 HDAC1 (0.63) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL15551664 0.77 HDAC1 (1.00) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL21178187 0.76 HDAC1 (0.64) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL26775744 0.76 HDAC1 (0.90) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL25393473 0.76 HDAC1 (0.59) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL23899094 0.75 NPC1 (0.60) HDAC1NPC1RAB9AHDAC2HDAC3

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-115216004-A Polyimide resin, polyimide film, flexible device, and electronic apparatus 华为技术有限公司 2022-10-21 — — CN disclosed
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