SCHEMBL29818223

SCHEMBL29818223

O=C(NCC1CCCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ DGAT1 O75907 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.47
▸ ACACB O00763 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CNR2 P34972 2/20 0.44

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
SCHEMBL29836789 0.99 MEN1 (0.53) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818071 0.98 DGAT1 (0.51) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29836828 0.96 DGAT1 (0.52) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818215 0.91 NPC1 (0.53) DGAT1SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL29836774 0.89 ALDH1A1 (0.50) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818190 0.83 DGAT1 (0.56) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29817936 0.82 MAPT (0.66) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818048 0.82 NPC1 (0.71) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818159 0.81 DGAT1 (0.52) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1
SCHEMBL29818284 0.80 DGAT1 (0.53) MEN1KMT2ADGAT1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 — — WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 — — WO disclosed
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