SCHEMBL30338397

SCHEMBL30338397

O=C(N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 1.00
ALOX15 P16050 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 3/20 0.67
MAPK1 P28482 1/20 0.67
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GLA P06280 1/20 0.58
SIRT1 Q96EB6 9/20 0.54
SIRT2 Q8IXJ6 3/20 0.53
SIRT3 Q9NTG7 2/20 0.53
BRD3 Q15059 3/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.49
CRBN Q96SW2 1/20 0.47

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
SCHEMBL4025898 1.00 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022761 1.00 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4025228 1.00 DHODH (1.00) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL24727760 0.91 DHODH (0.84) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022932 0.89 DHODH (0.80) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4254861 0.88 DHODH (0.79) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL31120774 0.87 DHODH (0.76) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022138 0.86 DHODH (0.75) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4023145 0.85 DHODH (0.74) DHODHALOX15SMN1; SMN2MAPTMAPK1
SCHEMBL4022078 0.85 DHODH (0.74) DHODHALOX15SMN1; SMN2MAPTMAPK1

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
US-20240245664-A1 METHODS OF USING USP15 INHIBITORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2024-07-25 US disclosed
WO-2023039405-A1 METHODS OF USING USP15 INHIBITORS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2023-03-16 WO disclosed