SCHEMBL16656239

SCHEMBL16656239

OCc1ccc(N(c2ccc(I)cc2)c2ccc(CO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 2/20 0.37
IDO1 P14902 2/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34
ELOB Q15370 1/20 0.34
LTA4H P09960 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL308282 0.88 TSHR (0.48) TSHRMEN1KMT2ACYP3A4PRSS1
SCHEMBL14848926 0.86 APP (0.53) APPIDO1LTA4H
SCHEMBL111405 0.85
SCHEMBL22941869 0.81 MKNK1 (0.45) APPTSHRMEN1KMT2APRSS1
SCHEMBL13599813 0.81 MKNK1 (0.45) APPTSHRMEN1KMT2APRSS1
SCHEMBL309287 0.81 MKNK1 (0.45) APPTSHRMEN1KMT2APRSS1
SCHEMBL9891695 0.81 TSHR (0.48) TSHRMEN1KMT2ACYP3A4PRSS1
SCHEMBL985323 0.80 APP (0.44) APPTSHRMEN1KMT2ACYP3A4
SCHEMBL439584 0.79 TSHR (0.59) TSHRMEN1KMT2ACYP3A4PRSS1
SCHEMBL15468969 0.79 LPL (0.48) TSHRMEN1KMT2AIDO1PRSS1

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-9012773-B2 Thiazole-based compound and uses thereof NEC CORPORATION (JP) 2015-04-21 US disclosed