SCHEMBL29203262

SCHEMBL29203262

C[C@@H](O)Cn1c(=O)n(CCC(C)(C)O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
BCL6 P41182 5/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PARG Q86W56 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL30232265 1.00 CYP1A2 (0.53) CYP1A2BCL6CNR1CNR2MAPT
SCHEMBL29203264 1.00 CYP1A2 (0.53) CYP1A2BCL6CNR1CNR2MAPT
SCHEMBL23357569 0.91 CYP1A2 (0.63) CYP1A2BCL6CNR1CNR2MAPT
SCHEMBL20569854 0.87 CYP1A2 (0.51) CYP1A2BCL6CNR1CNR2MAPT
SCHEMBL31520705 0.86 CYP1A2 (0.58) CYP1A2BCL6CNR1CNR2MAPT
SCHEMBL20568778 0.83 CYP1A2 (0.53) CYP1A2BCL6PKM
SCHEMBL31521004 0.83 CYP1A2 (0.53) CYP1A2BCL6MAPTATMPOLB
SCHEMBL29203270 0.81 KDM4E (0.48) BCL6CNR1CNR2MAPTALDH1A1
SCHEMBL29203274 0.81 KDM4E (0.48) BCL6CNR1CNR2MAPTALDH1A1
SCHEMBL30232262 0.81 KDM4E (0.48) BCL6CNR1CNR2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380919-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS Dana-Farber Cancer Institute, Inc. (US) 2024-06-12 EP disclosed
CN-117980290-A Cyanopyridine and cyanopyrimidine BCL6 degrading agents 达纳-法伯癌症研究所公司 2024-05-03 CN disclosed
WO-2023015164-A1 CYANOPYRIDINE AND CYANOPYRIMIDINE BCL6 DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-09 WO disclosed