SCHEMBL3938313

SCHEMBL3938313

c1cnc2ccc3ncoc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.52
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP1B1 Q16678 2/20 0.45
NCOA1 Q15788 2/20 0.42
CYP1A1 P04798 1/20 0.42
ERN1 O75460 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13166534 0.85 MAPT (0.50) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL31682286 0.77 CYP3A4 (0.53) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29141615 0.77 CYP3A4 (0.53) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL6049574 0.77 CYP3A4 (0.53) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL3910922 0.76 CYP3A4 (0.52) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL20361715 0.76 GPR3 (0.50) MAPTKDM4ECYP3A4LMNAERN1
SCHEMBL29728143 0.76 CYP3A4 (0.52) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL217044 0.75 MAPT (1.00) MAPTKDM4ECYP3A4LMNAMEN1
SCHEMBL29873503 0.75 DYRK1A (0.36) LMNAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7069489 0.73 MAPT (0.54) MAPTKDM4ECYP3A4LMNAMEN1

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
EP-1609459-B1 Use of polycationic compounds for dyeing keratinous fibers OREAL (FR) 2009-04-08 EP claimed
CN-119552174-A TLR7 and TLR8 inhibitors, methods of making, pharmaceutical compositions and uses thereof 上海深势唯思科技有限责任公司 2025-03-04 CN disclosed