SCHEMBL19413293

SCHEMBL19413293

IS(N1CCCCC1)(N1CCCCC1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MGLL Q99685 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
SCHEMBL19413261 0.96 CA1 (0.40) CA1CA2POLBTSHRKMT2A
SCHEMBL19413363 0.79 CA1 (0.45) CA1CA2POLBTSHRKMT2A
SCHEMBL19413258 0.74 CA1 (0.40) CA1CA2POLBTSHRKMT2A
SCHEMBL18392435 0.73 CA1 (0.55) CA1CA2POLBTSHRKMT2A
SCHEMBL19106146 0.73 CA1 (0.41) CA1CA2POLBTSHRKMT2A
SCHEMBL12525113 0.69
SCHEMBL19106149 0.69 CA1 (0.36) CA1CA2POLBTSHRKMT2A
SCHEMBL19413366 0.67 L3MBTL1 (0.31)
SCHEMBL19413263 0.67 CA12 (0.52) POLBTSHRKMT2AMEN1MGLL
SCHEMBL19172040 0.64 CA1 (0.45) CA1CA2POLBTSHRKMT2A

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-9777373-B2 Amino(iodo)silane precursors for ALD/CVD silicon-containing film applications and methods of using the same AMERICAN AIR LIQUIDE, INC. (US) 2017-10-03 US disclosed