SCHEMBL9760633

SCHEMBL9760633

Oc1nc2cccnc2n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
BRD4 O60885 2/20 0.55
ENPP2 Q13822 10/20 0.54
TP53 P04637 2/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL9761791 0.83 LMNA (0.59) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL15244777 0.79 LMNA (0.66) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL18885590 0.79 KDM4E (0.44) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL152719 0.77 TNF (0.65) LMNATP53ALDH1A1MEN1CYP1A2
SCHEMBL18885589 0.76 TP53 (0.47) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL9537927 0.76 LMNA (0.55) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL9539209 0.76 LMNA (0.55) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7833959 0.75 LMNA (0.60) LMNABRD4ENPP2TP53MEN1
SCHEMBL9761903 0.74 PDE4A (0.50) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL15244750 0.73 TAAR1 (0.48) LMNAPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023256-A Antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-06-11 US disclosed