SCHEMBL28932912

SCHEMBL28932912

O=C1c2ccccc2C(=O)N1CCCCCCc1c[nH]nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AB1 P08238 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 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
SCHEMBL20917419 0.77 TDP1 (0.52) TDP1L3MBTL1TSHRMEN1LMNA
SCHEMBL8862878 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL8863094 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL6777483 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL8862728 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL2604742 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL8863154 0.76 TDP1 (0.75) TDP1L3MBTL1MEN1KMT2AHDAC8
SCHEMBL29263710 0.76 TDP1 (0.57) TDP1L3MBTL1TSHRMEN1LMNA
SCHEMBL29263618 0.75 HSD17B10 (0.77) TDP1L3MBTL1TSHRMEN1LMNA
SCHEMBL6790333 0.74 TDP1 (0.71) TDP1L3MBTL1MEN1KMT2AMAPT

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-113943276-A Nitrogen heterocyclic compound and application thereof 武汉人福创新药物研发中心有限公司 2022-01-18 CN disclosed