SCHEMBL28257569

SCHEMBL28257569

O=C(OCCCn1ccc2ccccc21)c1ccccc1.[H+]

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL28255980 0.99 CDK4 (0.57) CDK4CCND1TDP1LMNAKMT2A
SCHEMBL7873205 0.82 CDK4 (0.60) CDK4CCND1LMNAKMT2A
SCHEMBL27624745 0.81 KMT2A (0.57) CDK4CCND1TDP1LMNAKMT2A
SCHEMBL28866327 0.78 BCL2 (0.44) TDP1
SCHEMBL27452610 0.77 CDK4 (0.59) CDK4CCND1LMNAKMT2ADRD2
SCHEMBL29560163 0.75 CDK4 (0.68) CDK4CCND1LMNAKMT2ADRD2
SCHEMBL1967792 0.75 CDK4 (0.68) CDK4CCND1LMNAKMT2ADRD2
SCHEMBL1269116 0.74 CDK4 (0.71) CDK4CCND1LMNAKMT2ADRD2
SCHEMBL416566 0.74 TDP1 (0.91) TDP1LMNAKMT2A
SCHEMBL223441 0.74 TDP1 (1.00) TDP1LMNAKMT2A

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-108929259-A A method of preparing Silodosin intermediate 四川青木制药有限公司 2018-12-04 CN disclosed