SCHEMBL28569424

SCHEMBL28569424

CC1CCCCN1c1c(N)cc(C(=O)O)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.43
GAA P10253 4/20 0.40
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NR4A1 P22736 1/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 4/20 0.38
NR1I2 O75469 2/20 0.37
SMARCA2 P51531 2/20 0.37
SMARCA4 P51532 2/20 0.37
NR1H3 Q13133 2/20 0.37
PBRM1 Q86U86 2/20 0.37
NR1H2 P55055 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL21808119 1.00 GFER (0.43) GFERGAAKDM4EPOLBHSD17B10
SCHEMBL21820416 0.86 NPC1 (0.44) GFERGAAKDM4EHSD17B10KMT2A
SCHEMBL21820526 0.86 NPC1 (0.44) GFERGAAKDM4EHSD17B10KMT2A
SCHEMBL28904936 0.81 ALDH1A1 (0.55) POLBKMT2AL3MBTL1TP53MEN1
SCHEMBL28904938 0.81 ALDH1A1 (0.55) POLBKMT2AL3MBTL1TP53MEN1
SCHEMBL31390896 0.78 KMT2A (0.36) GAAKDM4EPOLBHSD17B10NR4A1
SCHEMBL21808171 0.76 KDM4E (0.55) GAAKDM4EPOLBHSD17B10NR4A1
SCHEMBL2774234 0.76 KDM4E (0.61) GFERGAAKDM4EPOLBHSD17B10
SCHEMBL28904928 0.73 GFER (0.36) GFERKMT2AHPGDNR1I2SMARCA2
SCHEMBL28904927 0.73 GFER (0.36) GFERKMT2AHPGDNR1I2SMARCA2

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-115215838-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-10-21 CN disclosed
CN-112770745-B Compounds for the treatment of specific leukemias 拓臻股份有限公司 2022-09-02 CN disclosed
CN-112770745-A Compounds for the treatment of specific leukemias 拓臻股份有限公司 2021-05-07 CN disclosed