SCHEMBL31361640

SCHEMBL31361640

CC(C)(C)OC(=O)N1CCO[C@@H](Cn2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
EPHA2 P29317 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ERBB2 P04626 1/20 0.38
EPHB4 P54760 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NR1D1 P20393 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 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
SCHEMBL31361644 1.00 MAPT (0.42) MAPTALDH1A1LMNAPOLBEPHA2
SCHEMBL16652728 1.00 MAPT (0.42) MAPTALDH1A1LMNAPOLBEPHA2
SCHEMBL16652730 1.00 MAPT (0.42) MAPTALDH1A1LMNAPOLBEPHA2
SCHEMBL16652473 0.85 EPHA2 (0.43) MAPTLMNAEPHA2ERBB2EPHB4
SCHEMBL16652472 0.85 EPHA2 (0.43) MAPTLMNAEPHA2ERBB2EPHB4
SCHEMBL31361669 0.85 EPHA2 (0.43) MAPTLMNAEPHA2ERBB2EPHB4
SCHEMBL16655429 0.84 POLB (0.41) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL16885204 0.84 EPHA2 (0.46) MAPTLMNAEPHA2ERBB2EPHB4
SCHEMBL16876582 0.84 EPHA2 (0.46) MAPTLMNAEPHA2ERBB2EPHB4
SCHEMBL16876583 0.84 EPHA2 (0.46) MAPTLMNAEPHA2ERBB2EPHB4

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed