SCHEMBL29244656

SCHEMBL29244656

COC(=O)c1ccc(CBr)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.47
NOTUM Q6P988 2/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
ESRRA P11474 1/20 0.40
SOS1 Q07889 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39

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
SCHEMBL10309762 0.88 CFTR (0.49) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL2769865 0.86 CA12 (0.48) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL29338521 0.85 CFTR (0.50) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL2409208 0.83 SMN1; SMN2 (0.44) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL3898889 0.82 CFTR (0.44) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL3661976 0.82 CES2 (0.44) KDM4EALDH1A1HPGDHSD17B10CES2
SCHEMBL2495129 0.81 CFTR (0.43) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL20178593 0.81 PPARA (0.46) CFTRNOTUMKDM4EALDH1A1HPGD
SCHEMBL6120235 0.81 NOTUM (0.46) CFTRNOTUMKDM4EALDH1A1MAPT
SCHEMBL1022658 0.80 ALDH1A1 (0.53) KDM4EALDH1A1MAPTGAAHPGD

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
WO-2024151501-A1 NOVEL IMIDAZOPYRIMIDINE COMPOUND AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-07-18 WO disclosed
WO-2024151501-A1 NOVEL IMIDAZOPYRIMIDINE COMPOUND AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-07-18 WO disclosed
CN-118239926-A TLR7 and 8 inhibitors, preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed