SCHEMBL25878635

SCHEMBL25878635

O=C(NC1CCN(C(=O)c2cccc(-c3nc4ccccc4[nH]3)n2)CC1)c1cccc(-c2cn3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LANCL2 Q9NS86 1/20 0.54
BACE1 P56817 3/20 0.53
BACE2 Q9Y5Z0 3/20 0.53
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
CYP3A4 P08684 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.42
CHEK1 O14757 1/20 0.42
HPGDS O60760 3/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL25312635 0.95 BACE1 (0.54) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL29484644 0.90 BACE1 (0.52) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL25878646 0.90 BACE1 (0.52) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL29484597 0.88 BACE1 (0.54) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL29466303 0.86 BACE1 (0.52) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL25877324 0.85 LANCL2 (0.59) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL25881360 0.84 BACE1 (0.58) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL25885562 0.84 BACE1 (0.52) LANCL2BACE1BACE2RAB9ANPC1
SCHEMBL25878837 0.84 LANCL2 (0.74) LANCL2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL25879262 0.83 BACE1 (0.54) LANCL2BACE1BACE2RAB9ANPC1

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
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed