SCHEMBL7014196

SCHEMBL7014196

CCCn1cnc2c(ccn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MMP13 P45452 1/20 0.42
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
EIF4EBP1 Q13541 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7018397 0.91 MAPK1 (0.46) MAPK1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL7018264 0.88 BCL6 (0.48) MAPK1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL7015996 0.83 HPGD (0.42) MAPK1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL7014404 0.79 TP53 (0.46) MAPK1TSHRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7013136 0.77 LMNA (0.65) MAPK1LMNASMN1; SMN2MAPTHTT
SCHEMBL7018715 0.75 TP53 (0.48) MAPK1LMNATSHRKMT2AALDH1A1
SCHEMBL7017888 0.74 TP53 (0.47) MAPK1LMNATSHRKMT2ASMN1; SMN2
SCHEMBL7011108 0.74 LMNA (0.84) MAPK1LMNASMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL7019827 0.73 LMNA (0.82) MAPK1LMNASMN1; SMN2ALDH1A1TP53
SCHEMBL7015993 0.73 LMNA (0.66) MAPK1LMNATSHRSMN1; SMN2MAPT

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