SCHEMBL16656238

SCHEMBL16656238

C#Cc1ccc(N(c2ccc(CO)cc2)c2ccc(CO)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ VHL P40337 1/20 0.31
▸ ELOC Q15369 1/20 0.31
▸ ELOB Q15370 1/20 0.31
▸ LTA4H P09960 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
SCHEMBL516512 0.87 TSHR (0.43) POLBALDH1A1TDP1TSHRPRSS1
SCHEMBL1478591 0.82 HDAC8 (0.43) ALDH1A1TDP1HDAC8CA12CA1
SCHEMBL308282 0.82 TSHR (0.48) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL12694295 0.80 PYCR1 (0.40) POLBALDH1A1TDP1TSHRKMT2A
SCHEMBL309287 0.76 MKNK1 (0.45) TSHRMEN1KMT2APRSS1PRSS2
SCHEMBL13599813 0.76 MKNK1 (0.45) TSHRMEN1KMT2APRSS1PRSS2
SCHEMBL22941869 0.76 MKNK1 (0.45) TSHRMEN1KMT2APRSS1PRSS2
SCHEMBL9891695 0.76 TSHR (0.48) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL13201579 0.76 CYP2A6 (0.42) POLBALDH1A1TDP1TSHRHDAC8
SCHEMBL2433973 0.74 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2AHDAC8

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
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