SCHEMBL30898640

SCHEMBL30898640

NC(=O)c1cccc(-c2ccc3c(c2)NCC32CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
BRD4 O60885 2/20 0.43
MAPK14 Q16539 2/20 0.43
ERN1 O75460 2/20 0.40
PDK2 Q15119 1/20 0.40
FAAH O00519 1/20 0.39
TRPA1 O75762 1/20 0.39
EPHX2 P34913 1/20 0.39
FAAH2 Q6GMR7 1/20 0.39
MGLL Q99685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CRBN Q96SW2 1/20 0.38
CCNT1 O60563 1/20 0.38
CCND1 P24385 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38

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
SCHEMBL30898666 0.88 TDP2 (0.45) TDP2BRD4MAPK14ERN1PDK2
SCHEMBL31390939 0.87 MAPK14 (0.43) MAPK14PDK2CYP3A4MAP4K1PDE5A
SCHEMBL30898703 0.86 TDP2 (0.46) TDP2BRD4MAPK14ERN1PDK2
SCHEMBL17444524 0.80 KDM1A (0.43) BRD4MAPK14PDK2
SCHEMBL30898641 0.78 MAPK14 (0.67) TDP2MAPK14
SCHEMBL30898677 0.77 MAPK14 (0.69) TDP2MAPK14
SCHEMBL22058140 0.75 KDM1A (0.40) MAPK14PDK2
Bromide SCHEMBL20954964 0.74 KDM1A (0.39) MAPK14PDK2
SCHEMBL30468541 0.74 TSHR (0.40) BRD4MAPK14PDK2CCNCCDK8
SCHEMBL30459971 0.73 KDM1A (0.41) MAPK14PDK2MAP4K1

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-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed