SCHEMBL9761791

SCHEMBL9761791

Clc1nc2cccnc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
BRD4 O60885 3/20 0.53
ENPP2 Q13822 7/20 0.52
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL17966778 0.86 TP53 (0.54) LMNAENPP2TP53MAPT
SCHEMBL30995515 0.83 LMNA (0.63) LMNAENPP2SMN1; SMN2TP53ALDH1A1
SCHEMBL22465201 0.83 PTGDR2 (0.48) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL9760633 0.83 LMNA (0.61) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL15244777 0.80 LMNA (0.66) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL2247954 0.80 S1PR1 (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL782939 0.78 CYP1A2 (0.65) LMNACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL9981519 0.78 LMNA (0.53) LMNATBXA2R
SCHEMBL1169953 0.76 LMNA (0.70) LMNAKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL9701321 0.74 TBXA2R (0.53) 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