SCHEMBL28664997

SCHEMBL28664997

O=Cc1cc(Br)cc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
GRM4 Q14833 1/20 0.32
NOTUM Q6P988 1/20 0.31
TERT O14746 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
SCHEMBL27846891 0.80 KDM4E (0.48) NT5EALDH1A1KDM4ETERT
SCHEMBL2492679 0.79 CCR1 (0.39) ALDH1A1TERT
SCHEMBL855006 0.79 NT5E (0.47) NT5EALDH1A1KDM4EGAAKDM5B
SCHEMBL30697100 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EGAAKDM5BHPGD
SCHEMBL27076937 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EGAAKDM5BHPGD
SCHEMBL27330869 0.73 GRM4 (0.57) ALDH1A1KDM4EGAAHPGDHSP90AA1
SCHEMBL16516311 0.73 ALPI (0.37) ALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL9772995 0.73 CCR1 (0.34) ALDH1A1TERT
SCHEMBL29589485 0.73 CCR1 (0.34) ALDH1A1TERT
SCHEMBL16192462 0.73 NT5E (0.43) NT5EALDH1A1KDM4EGAAKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
WO-2024156938-A1 CBL-B INHIBITORS ORION CORPORATION (FI) 2024-08-02 WO disclosed
CN-113717037-B Green synthesis method of 2, 5-dimethoxy benzaldehyde 镇江中智化学科技有限公司 2023-09-12 CN disclosed
CN-113264820-B Method for preparing ketone compound from olefin 江苏大学 2022-10-28 CN disclosed
CN-113717037-A Green synthesis method of 2, 5-dimethoxybenzaldehyde 镇江中智化学科技有限公司 2021-11-30 CN disclosed
CN-113264820-A Method for preparing ketone compound from olefin 江苏大学 2021-08-17 CN disclosed