SCHEMBL7020188

SCHEMBL7020188

Cc1cn(Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c2ncn(CCO)c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPC5 Q9UL62 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
KCNH2 Q12809 1/20 0.41
FSCN1 Q16658 1/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
TRPA1 O75762 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7017298 0.90 TP53 (0.46) LMNAMAPK1TP53TDP1SMN1; SMN2
SCHEMBL7015987 0.89 TP53 (0.47) LMNAMAPK1TP53TDP1TRPC5
SCHEMBL7016241 0.88 SMN1; SMN2 (0.43) LMNAMAPK1TP53TDP1SMN1; SMN2
SCHEMBL7020184 0.83 TP53 (0.44) LMNAMAPK1TP53TDP1TRPC5
SCHEMBL7021271 0.82 CYP19A1 (0.41) LMNAMAPK1TP53TDP1SMN1; SMN2
SCHEMBL7016056 0.81 THRB (0.47) TP53SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7008880 0.81 TP53 (0.37) LMNAMAPK1TP53TDP1SMN1; SMN2
SCHEMBL7017354 0.80 THRB (0.48) TP53SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL7016238 0.79 MAPT (0.43) LMNAMAPK1TP53TDP1SMN1; SMN2
SCHEMBL7019393 0.79 HTT (0.42) TP53SMN1; SMN2KMT2ACYP1A2CYP3A4

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