SCHEMBL31469082

SCHEMBL31469082

OCCOCCOc1cc(Br)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL13184060 0.90 ALDH1A1 (0.47) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL16981203 0.85 ALDH1A1 (0.50) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL13024337 0.82 L3MBTL1 (0.45) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL3464755 0.80 HTR2A (0.41) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL8265598 0.78 HPGD (0.50) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL23579385 0.78 ALDH1A1 (0.41) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL3201532 0.76 KDM4E (0.55) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL10775946 0.76 L3MBTL1 (0.67) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL10775846 0.76 L3MBTL1 (0.67) KDM4EMAPTPOLBLMNAALDH1A1
SCHEMBL3464649 0.76 HPGD (0.51) KDM4EMAPTPOLBLMNAALDH1A1

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-119684313-A Macrocyclic compound and preparation method and application thereof 上海爱科百发生物医药技术股份有限公司 2025-03-25 CN disclosed