SCHEMBL13813554

SCHEMBL13813554

CCCc1ccccc1Nc1ccccc1CCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
P2RX7 Q99572 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PTGS1 P23219 1/20 0.39
CXCL8 P10145 2/20 0.39
CLCN2 P51788 1/20 0.38
SLC6A4 P31645 1/20 0.38
GRM5 P41594 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL18944529 0.90 MAPT (0.45) ADRA2BADRA2CMEN1KMT2AALDH1A1
SCHEMBL9879377 0.88 GAA (0.47) ADRA2BADRA2CMEN1KMT2AALDH1A1
SCHEMBL9082201 0.88 CXCL8 (0.56) ADRA2BADRA2CSMN1; SMN2GAAMAPT
SCHEMBL7982172 0.87 MAPT (0.47) ADRA2BADRA2CP2RX7MEN1KMT2A
SCHEMBL14785273 0.86 CYP3A4 (0.46) ADRA2BADRA2CMEN1KMT2AALDH1A1
SCHEMBL3142020 0.84 ADRA2B (0.40) ADRA2BADRA2CP2RX7MEN1KMT2A
SCHEMBL8679853 0.84 ADRA2B (0.53) ADRA2BADRA2CMEN1KMT2ASMN1; SMN2
SCHEMBL1135151 0.84 ADRA2B (0.45) ADRA2BADRA2CP2RX7ALDH1A1KDM4E
SCHEMBL9418574 0.83 LIPG (0.56) PTGS2
SCHEMBL1567827 0.83 LIPG (0.56) PTGS2

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-117616032-A Rare earth complex 东曹株式会社 2024-02-27 CN disclosed