SCHEMBL29760167

SCHEMBL29760167

NCCN1CCC2(CCOC2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MCHR1 Q99705 2/20 0.32

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
Hydrochloric Acid SCHEMBL22581399 0.87 ALOX15 (0.43) ALOX15KEAP1SMN1; SMN2
SCHEMBL24577742 0.82 KDM4E (0.36) HDAC6MCHR1
SCHEMBL27284833 0.82 KDM4E (0.36) HDAC6MCHR1
SCHEMBL31270210 0.79 L3MBTL1 (0.42) HDAC6MCHR1
SCHEMBL14993202 0.79 ALOX15 (0.50) ALOX15KEAP1SMN1; SMN2
SCHEMBL17706230 0.78 ALOX15 (0.48) ALOX15
SCHEMBL21666874 0.78 MCHR1 (0.31) MCHR1
SCHEMBL21620152 0.78 HDAC6 (0.32) HDAC6MCHR1
SCHEMBL12312347 0.78 TSHR (0.47) HDAC6MCHR1
Hydrochloric Acid SCHEMBL22581302 0.77 KEAP1 (0.38) ALOX15KEAP1SMN1; SMN2

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-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed