SCHEMBL5364356

SCHEMBL5364356

C=CCNS(=O)(=O)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
POLB P06746 1/20 0.38
FKBP1A P62942 7/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
F13A1 P00488 1/20 0.34
TGM2 P21980 1/20 0.34
TGM1 P22735 1/20 0.34
USP2 O75604 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6755409 0.77 ALDH1A1 (0.49) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL27708697 0.72 ALDH1A1 (0.45) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL18024028 0.72 ALDH1A1 (0.45) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL13301165 0.70 ALDH1A1 (0.42) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL5760589 0.69 ALDH1A1 (0.42) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL2185175 0.68 CA1 (0.42) ALDH1A1CA1CA2POLBKMT2A
SCHEMBL30173328 0.68 ALDH1A1 (0.41) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL19402821 0.67 ALDH1A1 (0.40) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL16508745 0.67 CA1 (0.46) ALDH1A1CA1CA2POLBFKBP1A
SCHEMBL21361488 0.67 ALDH1A1 (0.49) ALDH1A1CA1CA2POLBFKBP1A

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-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 US disclosed