SCHEMBL29608693

SCHEMBL29608693

COC(=O)c1cc(N)ccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
PKM P14618 1/20 0.47
ABL1 P00519 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL847862 1.00 GAA (0.61) GAATTBK1TTBK2ALDH1A1KDM4E
SCHEMBL29426539 0.85 GAA (0.66) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL3172089 0.85 GAA (0.66) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL1403643 0.82 GAA (0.72) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL861495 0.81 PTPN2 (0.54) GAATTBK1TTBK2ALDH1A1HSD17B10
SCHEMBL6168887 0.81 GAA (0.66) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL7623605 0.81 GAA (0.70) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9705197 0.81 GAA (0.65) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10923552 0.81 CA12 (0.46) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL31249571 0.81 LMNA (0.54) GAAALDH1A1KDM4EHSD17B10MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539855-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Borah, Inc. (US) 2025-04-23 EP disclosed
EP-4351574-A1 INHIBITORS OF TTBK1 The General Hospital Corporation (US) 2024-04-17 EP disclosed
WO-2023244775-A1 BORON CONTAINING PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, METHODS AND USES THEREOF Boehringer Ingelheim Animal Health USA Inc. (US) 2023-12-21 WO disclosed
WO-2022261627-A1 INHIBITORS OF TTBK1 THE GENERAL HOSPITAL CORPORATION (US) 2022-12-15 WO disclosed
EP-3994142-A1 CHEMICAL COMPOUNDS Borah, Inc. (US) 2022-05-11 EP disclosed