SCHEMBL29889809

SCHEMBL29889809

O=CC1CCN(c2ccc(I)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 6/20 0.36
MITF O75030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A3 P47895 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL22505554 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL24735596 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL24735338 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL24735235 0.91 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL24735181 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL6668947 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2GAAHPGDMAPT
Hydrochloric Acid SCHEMBL1836445 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAHPGDHTT
SCHEMBL20231855 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL29482949 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAAHPGDMAPT
SCHEMBL26511741 0.82 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2GAAHPGDMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003295-B Novel chroman derivatives having estrogen receptor degrading activity and uses thereof 冰洲石生物科技公司 2025-05-06 CN disclosed
CN-117229286-A Aromatic compound, preparation method thereof and application thereof in preparation of estrogen receptor degradation agent 海创药业股份有限公司 2023-12-15 CN disclosed
CN-115003295-A Novel chroman derivatives having estrogen receptor degrading activity and uses thereof 冰洲石生物科技公司 2022-09-02 CN disclosed