SCHEMBL24554470

SCHEMBL24554470

COc1ccc2c(C(=O)c3cccc(OC)n3)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.60
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ AHR P35869 2/20 0.48
▸ KDR P35968 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ RECQL P46063 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ KIF20A O95235 1/20 0.43
▸ CLK1 P49759 1/20 0.43

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
SCHEMBL29682755 1.00 TUBB1 (0.60) TUBB1MAPTSMN1; SMN2TP53NPSR1
SCHEMBL21438666 0.85 AHR (0.63) MAPTSMN1; SMN2TP53NPSR1AHR
SCHEMBL21449261 0.79 NR4A2 (0.57) TUBB1MAPTSMN1; SMN2TP53NPSR1
SCHEMBL21438565 0.78 NR4A2 (0.67) TUBB1MAPTSMN1; SMN2TP53NPSR1
SCHEMBL1563040 0.77 TUBB1 (0.78) TUBB1MAPTSMN1; SMN2TP53NPSR1
SCHEMBL590922 0.76 MAPT (0.73) TUBB1MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL30075344 0.76 MAPT (0.73) TUBB1MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL1562290 0.76 TUBB1 (1.00) TUBB1MAPTSMN1; SMN2TP53NPSR1
SCHEMBL12480809 0.75 MAPT (0.71) TUBB1MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL1563760 0.75 TUBB1 (0.70) TUBB1MAPTSMN1; SMN2TP53NPSR1

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-2022133480-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-23 — — WO disclosed
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