SCHEMBL27609656

SCHEMBL27609656

CC1=C(C)C(c2ccccc2C#N)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ADRA1A P35348 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PPIA P62937 1/20 0.32
GSK3B P49841 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.31
GAA P10253 3/20 0.31
DRD4 P21917 1/20 0.30
GALR3 O60755 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL27609424 0.76 TSHR (0.42) TSHRADRA1AMAPTKDM4EALDH1A1
SCHEMBL27609408 0.75 KMT2A (0.32) TSHRMEN1KMT2AMAPTKDM4E
SCHEMBL30164521 0.75 TSHR (0.36) TSHRADRA1ACA1CA2PPIA
SCHEMBL3203152 0.75 TSHR (0.36) TSHRADRA1ACA1CA2PPIA
SCHEMBL27591089 0.69 TSHR (0.42) TSHRADRA1AMEN1KMT2AKDM4E
SCHEMBL27590908 0.69 TSHR (0.42) TSHRADRA1AKDM4EALDH1A1HTT
SCHEMBL27590850 0.69 ALDH1A1 (0.42) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28753221 0.68 GRM2 (0.30)
SCHEMBL28753245 0.68
SCHEMBL27591004 0.66 TSHR (0.41) TSHRADRA1ACA1CA2PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
CN-100357303-C Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2007-12-26 CN disclosed
CN-1817837-A Substituted cyclopentadiene and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1578783-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN disclosed