SCHEMBL20076569

SCHEMBL20076569

CC/C=N/CCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DNM1 Q05193 4/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8463940 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL27692867 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL27972170 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7915172 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL27744129 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL7915170 1.00 TSHR (0.42) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL20528866 0.97 TSHR (0.40) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL20528867 0.97 TSHR (0.40) TSHRTHRBMEN1KMT2ANAAA
SCHEMBL6016743 0.97
SCHEMBL28168681 0.95 NAAA (0.36) TSHRTHRBMEN1KMT2ANAAA

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed