SCHEMBL30451998

SCHEMBL30451998

COC(=O)C(C)(C)c1ccc(-n2cc(F)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.40
EGLN1 Q9GZT9 9/20 0.39
BRS3 P32247 1/20 0.37
GCGR P47871 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GCG P01275 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RET P07949 2/20 0.34

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
SCHEMBL28435954 1.00 HDAC4 (0.40) HDAC4EGLN1BRS3GCGRMAPT
SCHEMBL28441262 0.86 HDAC4 (0.42) HDAC4EGLN1GCGRMAPTALDH1A1
SCHEMBL25875342 0.80 MAPT (0.36) HDAC4EGLN1GCGRMAPTALDH1A1
SCHEMBL22534381 0.76 RAB9A (0.49) EGLN1MAPTKDM4E
SCHEMBL28414160 0.73 EGLN1 (0.46) EGLN1ALDH1A1RET
SCHEMBL30250133 0.73 EGLN1 (0.46) EGLN1ALDH1A1RET
SCHEMBL21744565 0.72 EGLN1 (0.44) EGLN1MAPTALDH1A1KDM4E
SCHEMBL28441796 0.72 EGLN1 (0.44) EGLN1RET
SCHEMBL17966640 0.72 KCNJ1 (0.56) EGLN1MAPTALDH1A1KDM4E
SCHEMBL29520978 0.72 KCNJ1 (0.56) EGLN1MAPTALDH1A1KDM4E

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
CN-111484479-B Azacyclic compounds, pharmaceutical compositions containing the same, and methods of making and using the same 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed