SCHEMBL27166398

SCHEMBL27166398

C[CH]CCCCCCCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CHRM2 P08172 2/20 0.57
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL27745873 0.98 TDP1 (0.56) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8332454 0.93 CHRM2 (0.56) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL9207150 0.85 GLS (0.55) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL8863154 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL6777483 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8863094 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL2604742 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862728 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL8862878 0.85 TDP1 (0.75) TDP1L3MBTL1CHRM2MEN1CYP1A2
SCHEMBL16882232 0.85 TDP1 (0.53) TDP1L3MBTL1CHRM2MEN1CYP1A2

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
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed