SCHEMBL8220878

SCHEMBL8220878

Cn1nc(-c2ccc(O)cc2)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.50
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK13 O15264 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ MAPK12 P53778 1/20 0.43
▸ MAPK11 Q15759 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ GLB1 P16278 1/20 0.41
▸ CTRB1 P17538 1/20 0.41
▸ CTRC Q99895 1/20 0.41
▸ USP2 O75604 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ ESR1 P03372 4/20 0.37
▸ ESR2 Q92731 1/20 0.37

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
SCHEMBL8214143 0.82 ALDH1A1 (0.54) MAPTTP53MAPK13GCGRMAPK12
SCHEMBL3270763 0.81 BRAF (0.50) ALOX15MAPTMAPK13GCGRMAPK12
SCHEMBL14298815 0.78 MEN1 (0.45) MAPTKMT2AMEN1NPSR1NPC1
SCHEMBL14711720 0.75 NR1H2 (0.41) MAPTKMT2AMEN1NPSR1NPC1
SCHEMBL14790653 0.74 LMNA (0.36) MAPTKMT2AMEN1NPSR1NPC1
SCHEMBL49947 0.73 ALOX15 (0.81) ALOX15MAPTKMT2AMEN1GLB1
SCHEMBL5533450 0.73 ALOX15 (0.81) ALOX15MAPTKMT2AMEN1GLB1
SCHEMBL8214582 0.73 KMT2A (0.40) ALOX15MAPTTP53KMT2AMEN1
SCHEMBL15885797 0.72 BRAF (0.46) MAPK13MAPK12MAPK11MAPK14ESR1
SCHEMBL8213534 0.72 ESR1 (0.40) ESR1ESR2

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-2008021871-A2 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
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