SCHEMBL5249170

SCHEMBL5249170

[CH2]c1ccccc1Cn1ccc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
HTR6 P50406 1/20 0.51
KMT2A Q03164 2/20 0.46
PLAU P00749 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
POLB P06746 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6086006 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL30201821 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL6087404 0.79 HTR6 (0.56) CDK4CCND1HTR6KMT2APLAU
SCHEMBL31257964 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL17454529 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL31257954 0.79 HTR6 (0.56) CDK4CCND1HTR6KMT2APLAU
SCHEMBL6086178 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL30577034 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL6086530 0.79 CDK4 (0.55) CDK4CCND1HTR6KMT2APLAU
SCHEMBL6086394 0.76 CDK4 (0.52) CDK4CCND1HTR6KMT2APLAU

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed