SCHEMBL30817316

SCHEMBL30817316

O=C1CC(c2ccc(N3CCC4(CC3)OCCO4)cc2)CC(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.47
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
F12 P00748 1/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.35
RORC P51449 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30817396 0.84 LGMN (0.43) LGMNMEN1KMT2AALDH1A1LMNA
SCHEMBL31198876 0.79 LGMN (0.45) LGMNKMT2AALDH1A1LMNAHRH3
SCHEMBL31727337 0.76 CRBN (0.51) LGMNALDH1A1LMNAPOLB
SCHEMBL615270 0.74 L3MBTL1 (0.43) LGMNMEN1KMT2AALDH1A1LMNA
SCHEMBL22816236 0.73 LGMN (0.42) LGMNHRH3F12RORCL3MBTL1
SCHEMBL6132758 0.72 LGMN (0.52) LGMNALDH1A1LMNAKDM4EUSP2
SCHEMBL5546662 0.71 POLB (0.55) LGMNKMT2AALDH1A1LMNAATM
SCHEMBL5539112 0.71 LGMN (0.54) LGMNMEN1KMT2AALDH1A1LMNA
SCHEMBL1982163 0.71 LGMN (0.61) LGMNMEN1KMT2AALDH1A1LMNA
SCHEMBL974758 0.71 LGMN (0.54) LGMNMEN1KMT2AALDH1A1LMNA

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-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed