SCHEMBL14228751

SCHEMBL14228751

C=C1CCCCCCCCCC(CN)C1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL15286031 0.81 CA1 (0.36) CA1CA2CA4CA6KMT2A
SCHEMBL24377697 0.81 CA1 (0.36) CA1CA2CA4CA6KMT2A
SCHEMBL14229576 0.77 CCR6 (0.40) KMT2A
SCHEMBL12753799 0.75 CA1 (0.47) CA1CA2CA4CA6KMT2A
SCHEMBL16583761 0.74 CA1 (0.30) CA1CA2CA4CA6
SCHEMBL2332955 0.73
SCHEMBL4636246 0.73
SCHEMBL16590754 0.72 NLRP3 (0.33) CA1CA2CA4CA6KMT2A
SCHEMBL16583762 0.72 FBP1 (0.31) CA1CA2CA4CA6
SCHEMBL16590753 0.69 KMT2A (0.56) CA1CA2CA4KMT2A

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
US-7365096-B2 Methods for selectively inhibiting Janus tyrosine kinase 3 (Jak3) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-04-29 US disclosed