SCHEMBL17845833

SCHEMBL17845833

COC(=O)NCc1cc(CC=NOCc2cccc(C)c2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAOB P27338 2/20 0.36
PPARG P37231 1/20 0.36
HSP90AA1 P07900 1/20 0.36
IDO1 P14902 2/20 0.35
LMNA P02545 1/20 0.35
OPRK1 P41145 1/20 0.34
CXCR4 P61073 1/20 0.34
CNR1 P21554 1/20 0.33
TP53 P04637 1/20 0.33
MMP13 P45452 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
SCHEMBL12466762 0.93 PPARG (0.38) KMT2AMEN1MAOBPPARGHSP90AA1
SCHEMBL482900 0.83 TSHR (0.40) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9958047 0.83 IDO1 (0.39) KMT2AMEN1SMN1; SMN2MAOBHSP90AA1
SCHEMBL166893 0.82 KDM4E (0.41) KMT2AMEN1MAOBHSP90AA1IDO1
SCHEMBL4439603 0.80 TSHR (0.46) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4448939 0.79 TSHR (0.45) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3236733 0.79 NPC1 (0.49) TSHRKMT2AMEN1MAOBPPARG
SCHEMBL18243 0.79 NPC1 (0.49) TSHRKMT2AMEN1MAOBPPARG
SCHEMBL4439591 0.78 TSHR (0.54) TSHRKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4445360 0.78 TSHR (0.43) TSHRKMT2AMEN1SMN1; SMN2LMNA

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-2016099916-A1 POLYLACTIC ACID COMPOSITIONS WITH ACCELERATED DEGRADATION RATE AND INCREASED HEAT STABILITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-06-23 WO disclosed