SCHEMBL28498331

SCHEMBL28498331

OCCN(CCO)Cc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
MAPT P10636 1/20 0.71
LIN28A Q9H9Z2 1/20 0.71
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KCNA5 P22460 1/20 0.46
KMT2A Q03164 1/20 0.45
APP P05067 1/20 0.43
HRH1 P35367 1/20 0.42
CDK1 P06493 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
TERT O14746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8211629 0.98 SMN1; SMN2 (0.75) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL8211498 0.96 SMN1; SMN2 (0.72) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL6864610 0.96 SMN1; SMN2 (0.79) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL3739691 0.96 SMN1; SMN2 (0.78) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
Hydrochloric Acid SCHEMBL4011611 0.94 SMN1; SMN2 (0.75) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL8508012 0.92 SMN1; SMN2 (0.61) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL14012789 0.87 SMN1; SMN2 (0.56) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL26521138 0.85 SMN1; SMN2 (0.72) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL14262997 0.84 SMN1; SMN2 (0.70) SMN1; SMN2TDP1MAPTLIN28ACYP1A2
SCHEMBL29427509 0.84 TDP1 (1.00) SMN1; SMN2TDP1MAPTLIN28ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109337087-B Elastomer coordinated by metal and having toughness, fatigue resistance, insensitivity to incision and excellent self-repairing property 齐鲁工业大学 2020-11-13 CN claimed
EP-4626489-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF Novartis AG (CH) 2025-10-08 EP disclosed
WO-2024116053-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF NOVARTIS AG (CH) 2024-06-06 WO disclosed
CN-115838479-A Preparation method of waterborne room temperature self-repairing polyurethane based on metal coordination bond 四川大学 2023-03-24 CN disclosed
CN-109337087-B Elastomer coordinated by metal and having toughness, fatigue resistance, insensitivity to incision and excellent self-repairing property 齐鲁工业大学 2020-11-13 CN disclosed