SCHEMBL22845279

SCHEMBL22845279

O=C1NCCCC1N1C(=O)c2c(I)cccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL24712763 0.81 CRBN (0.47) ALDH1A1
SCHEMBL22006041 0.80 TSHR (0.41) KDM4EALDH1A1POLBHTR2AHTR2C
SCHEMBL19629754 0.76 TSHR (0.43) KDM4EALDH1A1POLBHTR2AHTR2C
SCHEMBL22845277 0.73 DDB1 (0.52) ALDH1A1HTR2B
SCHEMBL22939207 0.73 DDB1 (0.39) KDM4EALDH1A1HTR2CHTR2BPKM
SCHEMBL19612069 0.70 DDB1 (0.51) ALDH1A1HTR2B
SCHEMBL19612072 0.70 DDB1 (0.51) ALDH1A1HTR2B
SCHEMBL19387907 0.69 CRBN (0.59) ALDH1A1HTR2AHTR2CHTR2B
SCHEMBL21207999 0.68 CRBN (0.58) ALDH1A1
SCHEMBL21107417 0.68 CRBN (0.58) ALDH1A1HTR2CHTR2B

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
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 — — WO disclosed
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