SCHEMBL21763595

SCHEMBL21763595

CN1CCN(C(=O)c2ccnc(-c3ccc4c(C=O)cccc4c3)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.60
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
KCNH2 Q12809 2/20 0.50
MTOR P42345 1/20 0.50
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
RIPK1 Q13546 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL21763645 0.86 L3MBTL1 (0.56) ERN1L3MBTL1KDM4EPIK3CDPIK3CA
SCHEMBL21763695 0.85 ERN1 (0.54) ERN1L3MBTL1KDM4EPIK3CDPIK3CA
SCHEMBL19961492 0.83 ERN1 (0.80) ERN1L3MBTL1KDM4E
SCHEMBL21763657 0.78 ERN1 (0.49) ERN1L3MBTL1KDM4EPIK3CDPIK3CA
SCHEMBL13551840 0.77 ERN1 (0.56) ERN1L3MBTL1KDM4EPIK3CDPIK3CA
SCHEMBL21763560 0.76 ERN1 (0.70) ERN1MAPT
SCHEMBL21763580 0.76 HPGD (0.51) ERN1KDM4EKCNH2HPGDTSHR
SCHEMBL12767165 0.75 ERN1 (1.00) ERN1L3MBTL1KDM4E
SCHEMBL30406594 0.73 ERN1 (0.73) ERN1L3MBTL1KDM4EPIK3CDPIK3CA
SCHEMBL14916071 0.73 ERN1 (0.73) ERN1L3MBTL1KDM4EPIK3CDPIK3CA

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
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed