SCHEMBL23226767

SCHEMBL23226767

COC(=O)c1ccc(Br)c(N2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ MGLL Q99685 1/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.51
▸ GLA P06280 2/20 0.50
▸ KDM4E B2RXH2 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ PRKDC P78527 2/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ CASP7 P55210 1/20 0.48
▸ MAPT P10636 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL23226763 0.83 NPC1 (0.59) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL2773168 0.82 KMT2A (0.57) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL7435442 0.81 KDM4E (0.75) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL16869527 0.81 KMT2A (0.58) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL6597425 0.81 ALDH1A1 (0.56) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL2771499 0.80 SMN1; SMN2 (0.62) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL24266512 0.79 NPC1 (0.61) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL4906777 0.77 SMN1; SMN2 (0.54) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL1063179 0.77 ALDH1A1 (0.67) ALDH1A1HSD17B10ALOX15HPGDMGLL
SCHEMBL7428427 0.76 MAPT (0.72) ALDH1A1HPGDKMT2ASMN1; SMN2KDM4E

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-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 — — WO disclosed
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