SCHEMBL21494327

SCHEMBL21494327

Cc1c(N(C)C(=O)O)cnc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PIK3CD O00329 1/20 0.40
LMNA P02545 1/20 0.40
PIK3R1 P27986 1/20 0.40
HIF1A Q16665 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CASP3 P42574 1/20 0.38
PTGFR P43088 4/20 0.38

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
SCHEMBL20006473 0.89 HTT (0.46) HTTTSHRALDH1A1LMNAMALT1
SCHEMBL26131455 0.83 HTT (0.41) HTTTSHRALDH1A1SMN1; SMN2PIK3CD
SCHEMBL29969729 0.82 HTT (0.41) HTTTSHRALDH1A1SMN1; SMN2MALT1
SCHEMBL21512512 0.82 HTT (0.41) HTTTSHRALDH1A1SMN1; SMN2MALT1
SCHEMBL20495103 0.77 HTT (0.53) HTTTSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL22410703 0.74 MALT1 (0.56) HTTTSHRALDH1A1MALT1MAPK1
SCHEMBL10282246 0.74 HTT (0.64) HTTTSHRALDH1A1SMN1; SMN2MALT1
SCHEMBL20660751 0.71 ALDH1A1 (0.39) HTTALDH1A1LMNAKDM4ERXFP1
SCHEMBL18894248 0.70 ALDH1A1 (0.41) HTTALDH1A1LMNAKDM4E
SCHEMBL21494424 0.69 HTT (0.46) HTTTSHRALDH1A1SMN1; SMN2MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
EP-3784671-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2021-03-03 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed