SCHEMBL14049859

SCHEMBL14049859

CC1(C)C(O)CCC2(C)C1CCC1(C)C3CCC4(C(=O)NCCc5cccc(C(=O)NCc6ccc(-c7nn[nH]n7)cn6)c5)CCCC4C3CCC12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 6/20 0.39
▸ CYSLTR1 Q9Y271 1/20 0.34
▸ PTPN1 P18031 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ NR1H4 Q96RI1 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ EPHX2 P34913 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
SCHEMBL14049696 0.88 NR1H4 (0.36) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049860 0.87 ROCK2 (0.35) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049803 0.86 NR1H4 (0.35) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049793 0.86 ROCK2 (0.35) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049788 0.82 NR1H4 (0.33) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049664 0.82 PTPN1 (0.40) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL14049851 0.82 NR1H4 (0.41) PTPN1NR1H4HSD17B10TDP1RORC
SCHEMBL13628286 0.82 RORC (0.54) RORC
SCHEMBL14049781 0.81 NR1H4 (0.35) PTPN1PARP1NR1H4HSD17B10TDP1
SCHEMBL14049905 0.81 HIF1A (0.39) HIF1APTPN1NR1H4HSD17B10TDP1

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-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — WO disclosed
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