SCHEMBL28534786

SCHEMBL28534786

CC[C@@H]1CC(C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTPS1 P17812 1/20 0.44
MAPT P10636 9/20 0.44
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
SIRT6 Q8N6T7 2/20 0.39
MAPK1 P28482 2/20 0.38
SERPINE1 P05121 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL28526594 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL30947754 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL30947741 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL28526592 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL28526591 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL28534785 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2CTPS1MAPTRAB9A
SCHEMBL28528127 0.90 MAPT (0.44) ALDH1A1CTPS1MAPTRAB9AMEN1
SCHEMBL28528125 0.90 MAPT (0.44) ALDH1A1CTPS1MAPTRAB9AMEN1
SCHEMBL28534043 0.90 MAPT (0.44) ALDH1A1CTPS1MAPTRAB9AMEN1
SCHEMBL28534040 0.90 MAPT (0.44) ALDH1A1CTPS1MAPTRAB9AMEN1

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
CN-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed