SCHEMBL25488441

SCHEMBL25488441

COc1ccc2nc(N3CCCCC3)ccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.69
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
ALOX15 P16050 2/20 0.56
MAPK1 P28482 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
TP53 P04637 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PABPC1 P11940 1/20 0.56
APEX1 P27695 1/20 0.56
ATM Q13315 1/20 0.56
PIM1 P11309 1/20 0.55
MAOB P27338 1/20 0.55
MAPT P10636 3/20 0.54
RUNX1 Q01196 1/20 0.54

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
SCHEMBL22416420 0.89 KDM4E (0.57) HRH3KDM4EKMT2AALDH1A1MEN1
SCHEMBL30340903 0.89 MAOB (0.60) HRH3KDM4EKMT2AALDH1A1MEN1
SCHEMBL5912588 0.85 HRH3 (0.66) HRH3KDM4EALDH1A1MAPK1TDP1
SCHEMBL30771666 0.85 HRH3 (0.53) HRH3KDM4EKMT2AALDH1A1ALOX15
SCHEMBL30771670 0.85 HRH3 (0.53) HRH3KDM4EKMT2AALDH1A1MEN1
SCHEMBL30771680 0.85 MAOB (0.53) HRH3KDM4EKMT2AALDH1A1MEN1
SCHEMBL4215600 0.83 HRH3 (0.67) HRH3KDM4EKMT2AALDH1A1MEN1
SCHEMBL3973187 0.83 HRH3 (0.67) HRH3KDM4EALDH1A1TDP1RAB9A
SCHEMBL30771691 0.82 HRH3 (0.50) HRH3KDM4EKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL3972282 0.82 HRH3 (0.65) HRH3KDM4EALDH1A1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088620-A1 CYCLIC BIARYL PHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS Heraeus Deutschland GmbH & Co. KG (DE) 2023-05-25 WO disclosed
EP-4180440-A1 CYCLIC BIARYLPHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS Heraeus Deutschland GmbH & Co. KG (DE) 2023-05-17 EP disclosed