SCHEMBL28207153

SCHEMBL28207153

CCCCCCCCCCCCC(C)n1ccnc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.49
CYP17A1 P05093 2/20 0.44
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.39

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
SCHEMBL27431775 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL28401023 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL26606121 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL10456414 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL5086764 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL16163817 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL16163925 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL5084037 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL5090773 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A
SCHEMBL6421567 1.00 TBXAS1 (0.49) TBXAS1CYP17A1KDM4EKMT2A

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-107835841-A Polymer composition with delayed crystallization behaviour, additive composition influencing crystallization behaviour, method for lowering crystallization point and use of additive composition 弗劳恩霍弗应用研究促进协会 2018-03-23 CN claimed