SCHEMBL18706162

SCHEMBL18706162

O=C(O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)CC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.79
KMT2A Q03164 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.76
ALDH1A1 P00352 1/20 0.75
HTT P42858 1/20 0.75
SMYD3 Q9H7B4 5/20 0.74
TP53 P04637 3/20 0.73
LMNA P02545 2/20 0.73
MEN1 O00255 1/20 0.73
POLB P06746 1/20 0.69

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
SCHEMBL2228000 0.91 LMNA (0.80) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL2216711 0.91 LMNA (0.80) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18706418 0.88 ALDH1A1 (0.74) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18706397 0.85 SMYD3 (1.00) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18705832 0.85 MAPT (0.62) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20769036 0.85 SMYD3 (0.75) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20768830 0.85 SMYD3 (0.75) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18705892 0.85 SMYD3 (0.75) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18706517 0.85 MAPT (0.71) MAPTKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL18706141 0.85 MAPT (0.65) MAPTKMT2ASMN1; SMN2ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO disclosed