SCHEMBL30969296

SCHEMBL30969296

CCN(CC)CCOc1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.56
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAOA P21397 1/20 0.47
CYP2C19 P33261 1/20 0.47
SCN1A P35498 1/20 0.47

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
SCHEMBL6113984 0.83 GAA (0.62) PRSS1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL3857978 0.82 ALDH1A1 (0.49) PRSS1PRMT5WDR77THRATHRB
SCHEMBL6807626 0.81 MCHR1 (0.57) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL30969248 0.80 MAPK1 (0.68) PRSS1THRATHRBCYP1A2CYP3A4
SCHEMBL6811199 0.80 MAPK1 (0.68) PRSS1THRATHRBCYP1A2CYP3A4
SCHEMBL3863330 0.79 ALDH1A1 (0.50) PRMT5WDR77THRATHRBKDM4E
SCHEMBL2559475 0.79 PRSS1 (0.60) PRSS1THRATHRBKDM4EALDH1A1
SCHEMBL6803935 0.79 MCHR1 (0.59) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL6811996 0.77 MCHR1 (0.60) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7040004 0.76 NPC1 (0.68) KDM4EALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed