SCHEMBL30748818

SCHEMBL30748818

O=[N+]([O-])c1ccc(OC2CCOCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HSPB1 P04792 2/20 0.46
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PABPC1 P11940 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TXNRD1 Q16881 1/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL15884404 1.00 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL30114540 0.90 HSPB1 (0.51) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL3882524 0.87 HSPB1 (0.49) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL1749145 0.87 HSPB1 (0.49) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL28908019 0.85 HSPB1 (0.48) ALDH1A1HPGDCYP1A2HSPB1MAPT
SCHEMBL26436116 0.85 HSPB1 (0.48) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL4713180 0.83 HSPB1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL737467 0.83 HSPB1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
SCHEMBL4713179 0.83 HSPB1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9HSPB1
Hydrochloric Acid SCHEMBL17451217 0.82 HSPB1 (0.45) ALDH1A1HPGDCYP1A2CYP2C9HSPB1

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-4565588-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF Suzhou Keen Therapeutics Co., Ltd. (CN) 2025-06-11 EP disclosed
WO-2023241620-A1 BIOLOGICALLY ACTIVE COMPOUNDS AND METHODS THEREOF SUZHOU KEEN THERAPEUTICS CO., LTD. (CN) 2023-12-21 WO disclosed