SCHEMBL29836780

SCHEMBL29836780

O=C(NCC1CCCCC1)c1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
HDAC6 Q9UBN7 2/20 0.66
POLB P06746 3/20 0.64
HPGD P15428 1/20 0.64
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
MLYCD O95822 1/20 0.53
CA2 P00918 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL29836825 0.96 MEN1 (0.92) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL29032735 0.93 MEN1 (0.86) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL30450738 0.93 MEN1 (0.86) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL10722330 0.90 MEN1 (0.81) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL29818100 0.86 MEN1 (0.76) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL21617139 0.86 MEN1 (0.76) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL21616933 0.84 MEN1 (0.73) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL30673997 0.84 MEN1 (0.73) MEN1KMT2AHDAC6POLBHPGD
SCHEMBL22972218 0.84 MEN1 (0.74) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL5967753 0.83 MEN1 (0.71) MEN1KMT2AHDAC6POLBALDH1A1

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-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed