SCHEMBL25523684

SCHEMBL25523684

COC(=O)CC(C)c1cc(C)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 3/20 0.47
RXFP1 Q9HBX9 3/20 0.47
NPSR1 Q6W5P4 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
TACR3 P29371 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL25523507 0.77 CYP1A2 (0.53) PRNPRXFP1ALDH1A1KMT2AMAPT
SCHEMBL21834839 0.75 CYP1A2 (0.50) PRNPRXFP1ALDH1A1KMT2AMAPT
SCHEMBL17247288 0.74 CYP1A2 (0.53) PRNPRXFP1ALDH1A1KMT2AMAPT
SCHEMBL28488696 0.74 PRNP (0.50) PRNPRXFP1TACR3ALDH1A1KMT2A
SCHEMBL28488694 0.74 PRNP (0.50) PRNPRXFP1TACR3ALDH1A1KMT2A
SCHEMBL30196588 0.74 CYP1A2 (0.56) PRNPRXFP1ALDH1A1KMT2AMAPT
SCHEMBL2538873 0.74 CYP1A2 (0.56) PRNPRXFP1ALDH1A1KMT2AMAPT
SCHEMBL2600753 0.73 CYP1A2 (0.60) PRNPRXFP1TSHRALDH1A1KMT2A
SCHEMBL21834870 0.73 ALDH1A1 (0.54) PRNPRXFP1NPSR1TACR3ALDH1A1
SCHEMBL21834845 0.72 PRNP (0.51) PRNPRXFP1TACR3ALDH1A1KMT2A

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
WO-2023077218-A1 PHOTOCATALYSTS, PREPARATION AND USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-05-11 WO disclosed