SCHEMBL31566428

SCHEMBL31566428

COC(=O)c1ccc(F)c2c1OCC21CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
ALDH1A1 P00352 5/20 0.35
ALOX5 P09917 1/20 0.35
ABL1 P00519 1/20 0.34
HPGD P15428 5/20 0.33
NPC1 O15118 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL31474003 0.81 S1PR5 (0.41) KDM4EALDH1A1HPGDNPC1NPSR1
SCHEMBL31566421 0.80 ALOX5 (0.42) KDM4EALDH1A1ALOX5HPGDNPC1
SCHEMBL31566426 0.78 CA12 (0.35) KDM4EALDH1A1ALOX5NPC1TDP1
SCHEMBL31304894 0.78 ALDH1A1 (0.41) KDM4EALDH1A1ALOX5ABL1HPGD
SCHEMBL31566437 0.72 HTR1A (0.31)
SCHEMBL31474132 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDNPC1TDP1
SCHEMBL13315471 0.71 KDM4E (0.42) KDM4EALDH1A1ABL1HPGDNPC1
SCHEMBL20510055 0.69 KDM4E (0.36) KDM4EALDH1A1ABL1HPGDNPC1
SCHEMBL6852355 0.68 TARBP2 (0.46) KDM4EALDH1A1ABL1HPGDNPC1
SCHEMBL6848305 0.68 KDM4E (0.56) KDM4EALDH1A1ABL1HPGDPOLB

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-119841803-A Amide substituted heteroaryl compounds, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-04-18 CN disclosed