SCHEMBL29818071

SCHEMBL29818071

O=C(NCC1CCC1)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 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
▸ SMN1; SMN2 Q16637 3/20 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
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ ACACB O00763 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HDAC3 O15379 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
SCHEMBL29818223 0.98 MEN1 (0.52) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29836789 0.97 MEN1 (0.53) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29836828 0.96 DGAT1 (0.52) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29818215 0.91 NPC1 (0.53) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29836774 0.89 ALDH1A1 (0.50) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29817936 0.84 MAPT (0.66) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29818190 0.83 DGAT1 (0.56) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29818048 0.82 NPC1 (0.71) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29818159 0.81 DGAT1 (0.52) DGAT1ALDH1A1MAPTNPC1RAB9A
SCHEMBL29818284 0.80 DGAT1 (0.53) DGAT1ALDH1A1MAPTNPC1RAB9A

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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