SCHEMBL29242574

SCHEMBL29242574

CC(C)(C)N(C(=O)O)[C@@H]1CCCN(C2CCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
KDM2B Q8NHM5 11/20 0.37
GAA P10253 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL29155928 0.97 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2KDM2B
SCHEMBL2577531 0.94 MEN1 (0.38) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL1307428 0.89 ALDH1A1 (0.40) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL1307534 0.87 CCR5 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL988772 0.84 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM2BSIGMAR1
SCHEMBL1306995 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL2694217 0.79 MEN1 (0.38) MEN1KMT2ASIGMAR1
SCHEMBL2694220 0.79 MEN1 (0.38) MEN1KMT2ASIGMAR1
SCHEMBL1306189 0.77 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL20377502 0.75 ALDH1A1 (0.41) ALDH1A1KDM2BBCHE

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
CN-118234711-A Cyclopyridazine compounds 尼科治疗有限公司 2024-06-21 CN disclosed