SCHEMBL29909400

SCHEMBL29909400

O=c1[nH]c(=O)c2cc(F)c(Br)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PARP1 P09874 2/20 0.41
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
IDO1 P14902 3/20 0.38
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35

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
SCHEMBL2731858 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL25201307 0.93 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL30504341 0.93 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL3426314 0.84 KDM4E (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL7034913 0.84 KDM4E (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL22725084 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2KDM4EIDO1LMNA
SCHEMBL31748445 0.82 MAPT (0.42) ALDH1A1SMN1; SMN2KDM4EIDO1LMNA
SCHEMBL13814616 0.78 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL7021184 0.78 KDM4E (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCA12
SCHEMBL13804376 0.78 KDM4E (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDCA12

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed