SCHEMBL2124516

SCHEMBL2124516

CCCCCCCCCCCC[N+]1(CCCC)C=CN=C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
DNM1 Q05193 8/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL902475 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL2124363 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL2120552 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL4071941 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL17002621 0.98 TSHR (0.33) TSHRTHRBDNM1MEN1KMT2A
SCHEMBL4554669 0.96
Bromide SCHEMBL4479555 0.92
SCHEMBL9935805 0.92
SCHEMBL9934721 0.92
SCHEMBL11126320 0.91 SMN1; SMN2 (0.33) TSHRMEN1KMT2AALDH1A1

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-20120094192-A1 COMPOSITE NANOWIRE COMPOSITIONS AND METHODS OF SYNTHESIS UT-BATTELLE, LLC (US) 2012-04-19 US disclosed