SCHEMBL21590150

SCHEMBL21590150

CN1CC(C(=O)c2cc[c]cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.36
MGLL Q99685 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
SCHEMBL21590303 0.86 MEN1 (0.45) KMT2AMEN1POLBKDM2BHSD11B1
SCHEMBL4040222 0.82 MEN1 (0.47) KMT2AMEN1POLBHSD11B1MGLL
SCHEMBL232050 0.78 NPC1 (0.47) KMT2AMEN1POLBHSD11B1MGLL
SCHEMBL4190126 0.78 MGLL (0.51) KMT2AALDH1A1GAAMEN1POLB
SCHEMBL23722789 0.77 CHRNB2 (0.45) ALDH1A1GAA
SCHEMBL5214996 0.75 SRD5A2 (0.55) KMT2AALDH1A1MEN1HSD11B1MGLL
SCHEMBL27514751 0.75 SRD5A2 (0.50) KMT2AMEN1HSD11B1MGLL
SCHEMBL5218499 0.73 SRD5A2 (0.58) KMT2AALDH1A1MEN1POLB
SCHEMBL744542 0.70 POLB (0.64) KMT2AMEN1POLB
SCHEMBL25292565 0.70 POLB (0.43) KMT2AALDH1A1MEN1POLBHSD11B1

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed