SCHEMBL11450752

SCHEMBL11450752

O=c1cc(N2CCOCC2)c2ccccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 1.00
ALDH1A1 P00352 2/20 0.75
ACE P12821 1/20 0.60
ECE1 P42892 1/20 0.60
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL30507300 1.00 PRKDC (1.00) PRKDCALDH1A1ACEECE1KDM4E
SCHEMBL31060240 0.86 PRKDC (1.00) PRKDCALDH1A1
SCHEMBL31060539 0.84 PRKDC (1.00) PRKDCALDH1A1
SCHEMBL5203993 0.83 PRKDC (0.73) PRKDCALDH1A1
SCHEMBL31061090 0.81 PRKDC (1.00) PRKDCALDH1A1KDM4E
SCHEMBL31061213 0.81 PRKDC (1.00) PRKDCALDH1A1
SCHEMBL31060836 0.81 PRKDC (1.00) PRKDC
SCHEMBL28499055 0.81 PRKDC (0.68) PRKDCALDH1A1KDM4E
SCHEMBL31060570 0.79 PRKDC (1.00) PRKDC
SCHEMBL30507414 0.77 PRKDC (0.64) PRKDCALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-4234488-A FLUORESCENT DYES BAYER AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed
US-4147865-A Benz-(C,D)-indolyl compounds BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed