SCHEMBL17029090

SCHEMBL17029090

Cc1ccc(-c2noc(-c3nc(Cc4cccc(Br)c4)c(C)o3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.47
RAB9A P51151 10/20 0.47
NFKB1 P19838 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
SMN1; SMN2 Q16637 8/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NR1H4 Q96RI1 1/20 0.43
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL5855563 0.87 MEN1 (0.51) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL15491770 0.87 MEN1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL15487557 0.86 S1PR1 (0.43) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL17029096 0.85 NPC1 (0.42) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15593119 0.84 NPC1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17029094 0.81 POLB (0.46) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17029088 0.80 MAPT (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17029098 0.80 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL5857239 0.75 PPARA (0.48) NPC1RAB9AMAPK1TP53MEN1
SCHEMBL5857222 0.72 KDR (0.57) NPC1RAB9AMAPK1TP53MEN1

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-9115120-B2 Heterocyclic modulators of HIF activity for treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2015-08-25 US disclosed