SCHEMBL24504101

SCHEMBL24504101

CCCCCCCCCCCCN1C/C(=C/c2ccc3c(c2)OCCO3)S/C1=N\c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 7/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 4/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ DYRK2 Q92630 3/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DYRK3 O43781 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ ALOX15 P16050 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
SCHEMBL17302214 0.80 CA9 (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL24504058 0.76 DYRK2 (0.44) ALDH1A1MAPTKDM4ELMNAADAM17
SCHEMBL17302215 0.72 CFTR (0.51) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL19096574 0.68 CA9 (0.51) POLBALDH1A1MAPTSMN1; SMN2GSK3B
SCHEMBL19096526 0.67 FAAH (0.58) POLBALDH1A1MAPTSMN1; SMN2PIM1
SCHEMBL19096521 0.66 FAAH (0.58) ALDH1A1MAPTSMN1; SMN2PIM1DYRK2
SCHEMBL19096261 0.66 FAAH (0.58) ALDH1A1MAPTSMN1; SMN2PIM1DYRK2
SCHEMBL19096569 0.65 MEN1 (0.54) POLBALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19120876 0.65 DYRK1A (0.41) POLBALDH1A1MAPTKDM4ELMNA
SCHEMBL17295338 0.64 FAAH (0.54) ALDH1A1MAPTSMN1; SMN2PIM1DYRK2

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
EP-4011879-A1 THIAZOLIDINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC OR NEUROLOGICAL DISORDERS AND INFLAMMATION, IN PARTICULAR NEUROINFLAMMATION Universität Bern (CH) 2022-06-15 — — EP disclosed
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