SCHEMBL29157643

SCHEMBL29157643

CCN1CCN(c2ccc(OB(O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ GAA P10253 3/20 0.56
▸ RAD52 P43351 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CHRNA7 P36544 1/20 0.54
▸ DRD2 P14416 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5210514 0.81 GAA (0.52) MAPTGAAKDM4EGFERSMN1; SMN2
SCHEMBL8353109 0.80 DRD2 (0.75) MAPTGAARAD52KDM4EGFER
SCHEMBL7684964 0.79 HDAC6 (0.46) MAPTGAAKDM4EGFERSMN1; SMN2
SCHEMBL2557098 0.78 GAA (0.61) MAPTGAARAD52KDM4EGFER
Hydrochloric Acid SCHEMBL30753410 0.78 ALDH1A1 (0.47) MAPTGAAKDM4EGFERSMN1; SMN2
SCHEMBL5209026 0.78 KCNH2 (0.47) MAPTGAAKDM4EGFERSMN1; SMN2
SCHEMBL19538665 0.77 TSHR (0.68) MAPTGAARAD52KDM4EGFER
SCHEMBL3016819 0.76 ALDH1A1 (0.47) MAPTGAAKDM4ESMN1; SMN2HSD17B10
SCHEMBL24452939 0.75 MAPT (0.67) MAPTGAARAD52KDM4EGFER
SCHEMBL578273 0.75 GAA (0.67) MAPTGAARAD52KDM4EGFER

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
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
CN-117597336-A Halogen substituted amino aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
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