SCHEMBL31444485

SCHEMBL31444485

COc1ccc(CN2C(=O)COC(CI)C2c2cccc(F)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 2/20 0.38
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL31444317 0.90 SLC5A2 (0.40) RORCHCRTR1HCRTR2MEN1KMT2A
SCHEMBL31444354 0.84 MEN1 (0.39) HCRTR1HCRTR2MEN1KMT2ASLC5A1
SCHEMBL31444335 0.83 SLC5A1 (0.41) RORCHCRTR1HCRTR2MEN1KMT2A
SCHEMBL18151549 0.81 MEN1 (0.50) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL31444487 0.78 HCRTR2 (0.56) RORCHCRTR1HCRTR2MEN1KMT2A
SCHEMBL18150873 0.70 MEN1 (0.50) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL18159810 0.70 MEN1 (0.50) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL15989606 0.70 MDM2 (0.51) HCRTR1HCRTR2MEN1KMT2ANPSR1
SCHEMBL15972180 0.70 MDM2 (0.51) HCRTR1HCRTR2MEN1KMT2ANPSR1
SCHEMBL15989605 0.70 MDM2 (0.51) HCRTR1HCRTR2MEN1KMT2ANPSR1

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed