SCHEMBL23473245

SCHEMBL23473245

CCc1cc(C)ccc1N1CC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
AADAT Q8N5Z0 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 3/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SETDB1 Q15047 1/20 0.33
POLB P06746 1/20 0.33
C5AR1 P21730 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 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
SCHEMBL19203563 0.79 ALDH1A1 (0.46) TP53MAPTKMT2AMEN1TSHR
SCHEMBL15871966 0.77 MAPT (0.49) TP53MAPTKMT2AMEN1TSHR
SCHEMBL12072936 0.76 HTR1A (0.51) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL19446858 0.75 HTR1A (0.53) DRD2DRD4
Hydrochloric Acid SCHEMBL2366257 0.73 HTR1A (0.54) DRD2DRD4
SCHEMBL20457971 0.71 GAA (0.44) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL12826415 0.69 NPSR1 (0.46) MAPTTSHRALDH1A1LMNAHPGD
SCHEMBL19144322 0.69 KDM4E (0.46) TP53MAPTAADATKMT2AMEN1
SCHEMBL18436540 0.69 ALDH1A1 (0.45) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL2366253 0.68 LMNA (0.62) MAPTKMT2AMEN1TSHRALDH1A1

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-3831378-A1 SIPONIMOD IMMEDIATE RELEASE DOSAGE REGIMEN FOR TREATING AUTOIMMUNE DISEASES Novartis AG (CH) 2021-06-09 EP disclosed