SCHEMBL7018397

SCHEMBL7018397

CCn1cnc2c(ccn2Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
BRD4 O60885 1/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
MAPK10 P53779 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7014196 0.91 MAPK1 (0.46) MAPK1LMNASMN1; SMN2KMT2ATSHR
SCHEMBL7018264 0.87 BCL6 (0.48) MAPK1LMNABRD4SMN1; SMN2KMT2A
SCHEMBL7015996 0.84 HPGD (0.42) MAPK1LMNASMN1; SMN2KMT2ATSHR
SCHEMBL7017298 0.80 TP53 (0.46) MAPK1LMNABRD4BRD2BRD3
SCHEMBL7017888 0.78 TP53 (0.47) MAPK1LMNASMN1; SMN2KMT2ATSHR
SCHEMBL7015950 0.76 MAPK1 (0.56) MAPK1LMNABRD4BRD2BRD3
SCHEMBL7018715 0.75 TP53 (0.48) MAPK1LMNAKMT2ATSHRALDH1A1
SCHEMBL7015993 0.75 LMNA (0.66) MAPK1LMNABRD4BRD2BRD3
SCHEMBL7014404 0.75 TP53 (0.46) MAPK1SMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL7011108 0.74 LMNA (0.84) MAPK1LMNASMN1; SMN2ALDH1A1TP53

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