SCHEMBL7015950

SCHEMBL7015950

CCn1c(=O)c2c(ncn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)n(CC)c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.51
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CNOT7 Q9UIV1 1/20 0.45
HTT P42858 2/20 0.44
UBE2N P61088 2/20 0.44
POLB P06746 1/20 0.44
HIF1A Q16665 1/20 0.44
PDE4A P27815 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL7015993 0.91 LMNA (0.66) MAPK1LMNABRD4BRD2BRD3
SCHEMBL7018390 0.84 LMNA (0.69) MAPK1LMNASMN1; SMN2HTTUBE2N
SCHEMBL7013136 0.84 LMNA (0.65) MAPK1LMNASMN1; SMN2HTTUBE2N
SCHEMBL8643969 0.82 SMN1; SMN2 (0.44) MAPK1LMNABRD4BRD2BRD3
SCHEMBL7015175 0.82 LMNA (0.62) MAPK1LMNASMN1; SMN2TSHRHTT
SCHEMBL7011108 0.82 LMNA (0.84) MAPK1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7012058 0.82 LMNA (0.65) MAPK1LMNASMN1; SMN2HTTUBE2N
Hydrochloric Acid SCHEMBL7019827 0.81 LMNA (0.82) MAPK1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL555093 0.81 ALDH1A1 (0.65) MAPK1LMNAALDH1A1BRD4KMT2A
SCHEMBL7015123 0.78 LMNA (0.66) MAPK1LMNAKMT2ASMN1; SMN2MEN1

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
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed