SCHEMBL29996129

SCHEMBL29996129

Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N)cc3F)cc2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.63
MAPT P10636 4/20 0.60
GAA P10253 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL26416452 1.00 HDAC1 (0.63) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL28440005 0.94 HDAC1 (0.56) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL25393473 0.89 HDAC1 (0.59) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL1424488 0.88 HDAC1 (0.77) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL682876 0.84 PTGS1 (0.61) HDAC1MAPTGAAMAPK1RAB9A
SCHEMBL26416451 0.84 CA1 (0.61) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL25394327 0.84 HDAC1 (0.52) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL301367 0.84 MAPT (0.77) HDAC1MAPTGAAMAPK1CYP1A2
SCHEMBL26775744 0.83 HDAC1 (0.90) HDAC1MAPTGAAMAPK1RAB9A
SCHEMBL8218036 0.83 MAPT (0.55) HDAC1MAPTGAAMAPK1CYP1A2

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