SCHEMBL29099367

SCHEMBL29099367

CCOC(=O)C1(C)CC(CN)=NO1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
Hydrochloric Acid SCHEMBL25400669 0.98 ATM (0.33) ATMMEN1KMT2AMAPK1BRD4
SCHEMBL12461587 0.88 TP53 (0.38) ATMMEN1KMT2AMAPK1BRD4
SCHEMBL12461549 0.81 ATM (0.37) ATMMEN1KMT2AMAPK1BRD4
Hydrochloric Acid SCHEMBL25401368 0.81 ATM (0.33) ATMMEN1KMT2AMAPK1POLB
Hydrochloric Acid SCHEMBL25400563 0.77 MAPK1 (0.32) ATMMEN1KMT2AMAPK1POLB
Hydrochloric Acid SCHEMBL25436233 0.77 MEN1 (0.33) ATMMEN1KMT2AMAPK1POLB
SCHEMBL5102520 0.77 MAPT (0.45) ATMMEN1KMT2AMAPK1BRD4
SCHEMBL25061761 0.77 TP53 (0.33) TP53
Hydrochloric Acid SCHEMBL25399670 0.76 F2 (0.31) ATMMEN1KMT2AMAPK1TP53
SCHEMBL25061476 0.76 ATM (0.37) ATMMEN1KMT2AMAPK1BRD4

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
CN-116568310-A Boric acid compounds 株式会社LG化学 2023-08-08 CN disclosed