SCHEMBL1287947

SCHEMBL1287947

O=C(O)c1cccc(CNc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.83
HDAC8 Q9BY41 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
MRGPRX4 Q96LA9 2/20 0.73
FFAR1 O14842 1/20 0.66
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MITF O75030 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
AKR1C3 P42330 1/20 0.57
MEP1B Q16820 3/20 0.56
FOLH1 Q04609 1/20 0.56
HDAC4 P56524 1/20 0.54
MEF2D Q14814 1/20 0.54

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
SCHEMBL12581587 0.93 MRGPRX4 (0.73) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL31177977 0.91 HIF1A (1.00) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL14758954 0.90 FFAR1 (0.70) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL2185809 0.90 FFAR1 (0.70) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL15458722 0.88 HIF1A (0.67) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL16550428 0.87 HIF1A (0.70) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL19696532 0.87 HDAC8 (0.70) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL4748420 0.85 HIF1A (0.68) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL22480946 0.85 MRGPRX4 (1.00) HIF1AHDAC8HDAC6MRGPRX4FFAR1
SCHEMBL10055040 0.84 FFAR1 (0.68) HIF1AMRGPRX4FFAR1AKR1C3

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-2012048033-A2 NOVEL COMPOSITIONS FOR INHIBITING VIRUS ENTRY AND PROMOTING VIROLYISIS, AND METHODS THEREOF DREXEL UNIVERSITY (US) 2012-04-12 WO disclosed